SCHEMBL29136146

SCHEMBL29136146

OC(S)Cc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.47
HTR2A P28223 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CYP2A6 P11509 1/20 0.38
IDO1 P14902 2/20 0.38
ACACB O00763 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SLC18A3 Q16572 1/20 0.37

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
SCHEMBL2298190 0.80 HTR2A (0.42) MMEHTR2ATAAR1CYP2A6IDO1
SCHEMBL25278064 0.77 TAAR1 (0.46) MMEHTR2ATAAR1IDO1
SCHEMBL8030764 0.76 ACACB (0.45) MMETAAR1ACACB
SCHEMBL28771437 0.76 MME (0.40) MMEHTR2ATAAR1CYP2A6IDO1
SCHEMBL3041534 0.76 TAAR1 (0.44) MMEHTR2ATAAR1CYP2A6IDO1
SCHEMBL28771432 0.76 MME (0.40) MMEHTR2ATAAR1CYP2A6IDO1
SCHEMBL1427338 0.76 ACACB (0.45) MMETAAR1ACACB
SCHEMBL8584002 0.76 IGF1R (0.45) MMEHTR2ATAAR1SLC18A3
SCHEMBL28771438 0.76 MME (0.40) MMEHTR2ATAAR1CYP2A6IDO1
SCHEMBL3151427 0.75 EPHX1 (0.50) MMETAAR1CYP2A6

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
CN-117321042-A Oxodihydro indole compounds for the treatment of inflammatory diseases or cancers 豪夫迈·罗氏有限公司 2023-12-29 CN disclosed