SCHEMBL18801282

SCHEMBL18801282

COc1c(C)ccc(CSc2ccccc2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
SLC37A4 O43826 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
QRFPR Q96P65 1/20 0.38
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
FFAR1 O14842 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL18801417 0.87 KMT2A (0.44) KMT2ASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL18801320 0.87 LMNA (0.47) KMT2ASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL18801137 0.85 KMT2A (0.43) KMT2ASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL18801059 0.84 KMT2A (0.42) KMT2ASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL18801035 0.82 KMT2A (0.43) KMT2ASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL18801280 0.81 KMT2A (0.39) KMT2ASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL18801293 0.78 KMT2A (0.45) KMT2ASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL1647924 0.77 LMNA (0.47) KMT2ASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL18801279 0.77 ALDH1A1 (0.44) KMT2ASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL18801309 0.77 CA12 (0.57) KMT2ASMN1; SMN2NPC1RAB9AL3MBTL1

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-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed