SCHEMBL7673387

SCHEMBL7673387

COc1ccc(C(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 5/20 0.60
MAPT P10636 4/20 0.60
HPGD P15428 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NPSR1 Q6W5P4 3/20 0.60
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
LMNA P02545 1/20 0.60
ALOX15 P16050 1/20 0.60
MAPK10 P53779 1/20 0.60
HSD17B10 Q99714 1/20 0.60
POLB P06746 1/20 0.54
FLT3 P36888 2/20 0.49
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PDE4D Q08499 1/20 0.46

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
SCHEMBL7147094 0.92 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL7673354 0.88 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL24488930 0.85 ALDH1A1 (0.74) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL6994846 0.84 KDM4E (0.60) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL7670139 0.84 MAPT (0.62) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL24488966 0.83 HDAC8 (0.59) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL24489106 0.83 ALDH1A1 (0.76) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL24490524 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL24489140 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL7002312 0.82 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTHPGDMEN1

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