SCHEMBL18801436

SCHEMBL18801436

COc1c(-n2ccnc2)ccc(CSc2ccccc2)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38
TUBB6 Q9BUF5 2/20 0.38
TUBB2B Q9BVA1 2/20 0.38
TUBB1 Q9H4B7 2/20 0.38
CYP3A4 P08684 4/20 0.36
IDO1 P14902 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
SCHEMBL18801082 0.82 PPARG (0.43) KMT2ABRD4HTTALDH1A1NPC1
SCHEMBL1649414 0.80 CYP19A1 (0.38) CYP19A1CYP11B1CYP11B2TUBB4ATUBB
SCHEMBL18801417 0.76 KMT2A (0.44) KMT2AKDM4EALDH1A1NPC1RAB9A
SCHEMBL18801282 0.75 KMT2A (0.43) KMT2AKDM4EALDH1A1NPC1RAB9A
SCHEMBL18801137 0.74 KMT2A (0.43) KMT2AKDM4EALDH1A1NPC1RAB9A
SCHEMBL18801059 0.73 KMT2A (0.42) KMT2AHTTALDH1A1NPC1RAB9A
SCHEMBL18801035 0.71 KMT2A (0.43) CYP3A4KMT2AKDM4EALDH1A1NPC1
SCHEMBL18801149 0.71 L3MBTL1 (0.39) AAK1KMT2AHTTALDH1A1NPC1
SCHEMBL18801280 0.71 KMT2A (0.39) CYP3A4KMT2AHTTKDM4EALDH1A1
SCHEMBL1649341 0.70 METAP2 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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