SCHEMBL10732151

SCHEMBL10732151

COC(=O)Cc1c(CC(=O)OC)c2ccsc2c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SRC P12931 1/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL10733811 0.82 EGFR (0.57) EGFRSMN1; SMN2MAPTHPGDTSHR
SCHEMBL3190597 0.71 EGFR (0.50) EGFRSMN1; SMN2MAPTHPGDTSHR
SCHEMBL399816 0.70 EGFR (0.43) EGFRSMN1; SMN2MAPTALDH1A1CYP1A2
SCHEMBL3199606 0.69 EGFR (0.51) EGFRSMN1; SMN2MAPTHPGDTSHR
SCHEMBL3812007 0.69 ALDH1A1 (0.39) SMN1; SMN2MAPTHPGDNPC1TP53
SCHEMBL3809831 0.69 KMT2A (0.39) EGFRSMN1; SMN2MAPTTSHRNPC1
SCHEMBL22528250 0.68 SMN1; SMN2 (0.47) EGFRSMN1; SMN2MAPTHPGDTSHR
SCHEMBL12925954 0.68 EGFR (0.47) EGFRSMN1; SMN2MAPTHPGDTSHR
SCHEMBL14603345 0.68 TNKS (0.45) MAPTHPGDTSHRALDH1A1CYP1A2
SCHEMBL13576829 0.68 KDM4E (0.53) EGFRSMN1; SMN2MAPTHPGDTSHR

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-4707476-A TRANQUILIZERS CIBA-GEIGY CORPORATION (US) 1987-11-17 US disclosed