SCHEMBL7670139

SCHEMBL7670139

COc1cccc(C(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
KDM4E B2RXH2 6/20 0.62
ALDH1A1 P00352 6/20 0.62
HPGD P15428 4/20 0.62
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
RAB9A P51151 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 2/20 0.62
ALOX15 P16050 2/20 0.62
HSD17B10 Q99714 2/20 0.62
NPC1 O15118 2/20 0.62
MAPK10 P53779 1/20 0.62
KLKB1 P03952 1/20 0.50
POLB P06746 1/20 0.48
KLK1 P06870 3/20 0.47
KLK5 Q9Y337 3/20 0.47
TP53 P04637 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.43

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
SCHEMBL6994846 0.88 KDM4E (0.60) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL7145607 0.84 MAPT (0.61) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL7003377 0.84 ALDH1A1 (0.80) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL7673387 0.84 ALDH1A1 (0.60) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL7147094 0.84 ALDH1A1 (0.60) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL7666325 0.82 MEN1 (0.61) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL7138882 0.82 ALDH1A1 (0.61) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL7673354 0.82 ALDH1A1 (0.60) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL24488930 0.81 ALDH1A1 (0.74) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL7142901 0.80 ALDH1A1 (0.63) MAPTKDM4EALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US claimed