SCHEMBL11327656

SCHEMBL11327656

CN(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 1.00
NPC1 O15118 2/20 1.00
RAB9A P51151 2/20 1.00
HPGD P15428 1/20 0.75
ALDH1A1 P00352 8/20 0.59
CYP3A4 P08684 4/20 0.59
TSHR P16473 1/20 0.59
KEAP1 Q14145 2/20 0.57
MAPT P10636 10/20 0.51
MAPK1 P28482 6/20 0.51
LMNA P02545 5/20 0.51
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.46
HKDC1 Q2TB90 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MMP14 P50281 1/20 0.44

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
SCHEMBL11325695 0.86 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL9192176 0.84 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
Hydrochloric Acid SCHEMBL11776089 0.83 SMN1; SMN2 (0.71) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL11330090 0.82 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL11776076 0.82 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL11330097 0.81 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL11327907 0.78 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL11318200 0.78 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL11317722 0.76 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL3276062 0.75 ALDH1A1 (1.00) SMN1; SMN2NPC1RAB9AHPGDALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005206-B1 METHOD OF PREPARING 1,4-DIAMINOANTHRAQUINONE-2-CARBOXYLIC ACID CIBA-GEIGY AG (CH) 1981-04-01 EP disclosed
US-4243600-A Process for the manufacture of 1,4-diaminoanthraquinone-2-carboxylic acid CIBA-GEIGY AG (CH) 1981-01-06 US disclosed
EP-0005206-A1 Method of preparing 1,4-diaminoanthraquinone-2-carboxylic acid CIBA-GEIGY AG (CH) 1979-11-14 EP disclosed