SCHEMBL18801280

SCHEMBL18801280

COc1c(C2CC2)ccc(CSc2ccccc2)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
SLC37A4 O43826 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 4/20 0.36
PPARA Q07869 4/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
QRFPR Q96P65 1/20 0.34
EGFR P00533 1/20 0.34

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 0.82 KMT2A (0.44) KMT2ASLC37A4NPC1RAB9ASMN1; SMN2
SCHEMBL18801282 0.81 KMT2A (0.43) KMT2ASLC37A4NPC1RAB9ASMN1; SMN2
SCHEMBL18801137 0.80 KMT2A (0.43) KMT2ASLC37A4NPC1RAB9ASMN1; SMN2
SCHEMBL18801059 0.79 KMT2A (0.42) KMT2ASLC37A4NPC1RAB9ASMN1; SMN2
SCHEMBL1648275 0.77 KMT2A (0.39) KMT2AL3MBTL1CYP2D6ALDH1A1KDM4E
SCHEMBL18801035 0.77 KMT2A (0.43) KMT2ASLC37A4NPC1RAB9ASMN1; SMN2
SCHEMBL18801309 0.75 CA12 (0.57) KMT2ASLC37A4NPC1RAB9ASMN1; SMN2
SCHEMBL18801293 0.73 KMT2A (0.45) KMT2ASLC37A4NPC1RAB9ASMN1; SMN2
SCHEMBL28104576 0.72 PPARG (0.48) KMT2ANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL18801055 0.72 SLC37A4 (0.38) KMT2ASLC37A4NPC1RAB9ASMN1; SMN2

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