SCHEMBL9192951

SCHEMBL9192951

O=C(O)Oc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
CYP3A4 P08684 4/20 0.57
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 6/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
HPGD P15428 2/20 0.52
MAPT P10636 8/20 0.47
MAPK1 P28482 5/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ADORA2A P29274 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.41
APEX1 P27695 2/20 0.41
RECQL P46063 2/20 0.41
CASP6 P55212 1/20 0.41
THRB P10828 1/20 0.41
PTPRC P08575 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9512713 0.88 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1
SCHEMBL11577441 0.82 ALDH1A1 (0.68) ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1
SCHEMBL11287834 0.81 POLB (0.49) ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1
SCHEMBL11209552 0.80 MEN1 (0.47) ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1
SCHEMBL9192176 0.80 SMN1; SMN2 (0.72) ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1
SCHEMBL11282235 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL11776089 0.78 SMN1; SMN2 (0.71) ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1
SCHEMBL4397430 0.78 ADORA2A (0.68) ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1
SCHEMBL11317722 0.77 SMN1; SMN2 (0.62) ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1
SCHEMBL5306728 0.77 MAPT (0.57) ALDH1A1CYP3A4SMN1; SMN2NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530559-B1 Process for the preparation of 1-nitroanthraquinone-2-carboxylic acid BASF AG (DE) 1995-10-18 EP claimed
EP-0530559-A2 Process for the preparation of 1-nitroanthraquinone-2-carboxylic acid BASF Aktiengesellschaft (DE) 1993-03-10 EP claimed
EP-0371362-B1 PROCESS FOR THE PREPARATION OF 1-NITRO, 2-CARBOXY-ANTHRAQUINONE BASF Aktiengesellschaft (DE) 1993-02-03 EP claimed
EP-0371362-A2 Process for the preparation of 1-Nitro, 2-carboxy-anthraquinone BASF Aktiengesellschaft (DE) 1990-06-06 EP claimed
EP-0046863-B1 PROCESS FOR THE PREPARATION OF 1-AMINOANTHRAQUINONE-2-CARBOXYLIC ACID BASF Aktiengesellschaft (DE) 1983-06-29 EP claimed
EP-0046863-A1 Process for the preparation of 1-aminoanthraquinone-2-carboxylic acid BASF Aktiengesellschaft (DE) 1982-03-10 EP claimed
EP-0005206-B1 METHOD OF PREPARING 1,4-DIAMINOANTHRAQUINONE-2-CARBOXYLIC ACID CIBA-GEIGY AG (CH) 1981-04-01 EP claimed
EP-0005206-A1 Method of preparing 1,4-diaminoanthraquinone-2-carboxylic acid CIBA-GEIGY AG (CH) 1979-11-14 EP claimed
EP-0530559-B1 Process for the preparation of 1-nitroanthraquinone-2-carboxylic acid BASF AG (DE) 1995-10-18 EP disclosed
EP-0382053-B1 PROCESS FOR THE PREPARATION OF ANTHRAQUINONE DERIVATIVES BASF Aktiengesellschaft (DE) 1993-09-22 EP disclosed
EP-0530559-A2 Process for the preparation of 1-nitroanthraquinone-2-carboxylic acid BASF Aktiengesellschaft (DE) 1993-03-10 EP disclosed
EP-0371362-B1 PROCESS FOR THE PREPARATION OF 1-NITRO, 2-CARBOXY-ANTHRAQUINONE BASF Aktiengesellschaft (DE) 1993-02-03 EP disclosed
EP-0371362-B1 PROCESS FOR THE PREPARATION OF 1-NITRO, 2-CARBOXY-ANTHRAQUINONE BASF Aktiengesellschaft (DE) 1993-02-03 EP disclosed
EP-0326866-B1 PROCESS FOR THE PREPARATION OF ARYL AMINE OF THE ANTHRAQUINONE SERIES BASF Aktiengesellschaft (DE) 1992-01-02 EP disclosed
EP-0064629-A1 Process for preparing amino anthraquinones BASF Aktiengesellschaft (DE) 1982-11-17 EP disclosed
EP-0054218-A1 Process for the preparation of urethanes BAYER AG (DE) 1982-06-23 EP disclosed
EP-0046863-A1 Process for the preparation of 1-aminoanthraquinone-2-carboxylic acid BASF Aktiengesellschaft (DE) 1982-03-10 EP disclosed
EP-0046863-A1 Process for the preparation of 1-aminoanthraquinone-2-carboxylic acid BASF Aktiengesellschaft (DE) 1982-03-10 EP disclosed
EP-0005206-B1 METHOD OF PREPARING 1,4-DIAMINOANTHRAQUINONE-2-CARBOXYLIC ACID CIBA-GEIGY AG (CH) 1981-04-01 EP disclosed
EP-0005206-A1 Method of preparing 1,4-diaminoanthraquinone-2-carboxylic acid CIBA-GEIGY AG (CH) 1979-11-14 EP disclosed