SCHEMBL9509808

SCHEMBL9509808

Nc1c(OC(=O)Cl)ccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.61
MAPT P10636 8/20 0.57
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
ALDH1A1 P00352 7/20 0.57
MAPK1 P28482 6/20 0.57
POLB P06746 4/20 0.57
THRB P10828 3/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
LMNA P02545 2/20 0.57
MCL1 Q07820 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
PKM P14618 1/20 0.57
RECQL P46063 2/20 0.56
MAOA P21397 3/20 0.56
MAOB P27338 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53

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
SCHEMBL4397430 0.86 ADORA2A (0.68) ADORA2AMAPTMEN1KMT2AALDH1A1
SCHEMBL8777916 0.86 ADORA2A (0.63) ADORA2AMAPTMEN1KMT2AALDH1A1
SCHEMBL8777904 0.83 ADORA2A (0.60) ADORA2AMAPTMEN1KMT2AALDH1A1
SCHEMBL8675454 0.82 TTR (0.52) ADORA2AMAPTMEN1KMT2AALDH1A1
SCHEMBL9751849 0.79 RAB9A (0.68) ADORA2AMAPTMEN1KMT2AALDH1A1
SCHEMBL6220950 0.79 KEAP1 (0.49) ADORA2AMAPTMEN1KMT2AALDH1A1
SCHEMBL9512713 0.79 ALDH1A1 (0.56) ADORA2AMAPTMEN1KMT2AALDH1A1
SCHEMBL11043758 0.78 MAPT (0.73) ADORA2AMAPTMEN1KMT2AALDH1A1
SCHEMBL28155264 0.76 ADORA2A (0.63) ADORA2AMAPTMEN1KMT2AALDH1A1
SCHEMBL27886984 0.76 ADORA2A (0.63) ADORA2AMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0019285-B1 PROCESS FOR PREPARING ASYMMETRICAL VAT DYESTUFFS OF THE ANTHRAQUINONE SERIES AND THEIR USE IN DYEING AND PRINTING CIBA-GEIGY AG (CH) 1984-05-09 EP claimed
EP-0019285-A1 Process for preparing asymmetrical vat dyestuffs of the anthraquinone series and their use in dyeing and printing CIBA-GEIGY AG (CH) 1980-11-26 EP claimed
EP-0382053-B1 PROCESS FOR THE PREPARATION OF ANTHRAQUINONE DERIVATIVES BASF Aktiengesellschaft (DE) 1993-09-22 EP disclosed
EP-0382053-A2 Process for the preparation of anthraquinone derivatives BASF Aktiengesellschaft (DE) 1990-08-16 EP disclosed
EP-0019285-B1 PROCESS FOR PREPARING ASYMMETRICAL VAT DYESTUFFS OF THE ANTHRAQUINONE SERIES AND THEIR USE IN DYEING AND PRINTING CIBA-GEIGY AG (CH) 1984-05-09 EP disclosed
EP-0019285-A1 Process for preparing asymmetrical vat dyestuffs of the anthraquinone series and their use in dyeing and printing CIBA-GEIGY AG (CH) 1980-11-26 EP disclosed