SCHEMBL7439282

SCHEMBL7439282

CC(=O)SCc1ccccc1CCC(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HCAR2 Q8TDS4 10/20 0.52
MAPT P10636 1/20 0.50
CTSK P43235 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2C9 P11712 1/20 0.50
KDM4E B2RXH2 2/20 0.49

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
SCHEMBL7435457 0.91 SELP (0.56) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7431963 0.86 KDM4E (0.54) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7428881 0.86 KDM4E (0.56) KMT2ARAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7433961 0.86 ABCC1 (0.47) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7433330 0.84 SELP (0.43) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7438516 0.82 P2RX7 (0.43) KMT2AMEN1LMNAALDH1A1HCAR2
SCHEMBL7435750 0.80 KMT2A (0.47) KMT2ARAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7438002 0.80 KDM4C (0.50) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL7429346 0.80 SELL (0.45) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL7442252 0.80 SELP (0.47) KMT2AMEN1LMNAHCAR2KDM4E

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
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed