SCHEMBL19147152

SCHEMBL19147152

COCOc1cc2cc(Br)c(=O)oc2cc1OCOC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.41
MAOB P27338 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MCL1 Q07820 1/20 0.36
TSHR P16473 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GAPDH P04406 1/20 0.34
ACHE P22303 4/20 0.34
BCHE P06276 2/20 0.34
XDH P47989 1/20 0.33
NQO1 P15559 1/20 0.33

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
SCHEMBL16723484 0.84 GPR35 (0.41) GPR35MAOBALDH1A1TSHRPPARG
SCHEMBL9058086 0.82 MCL1 (0.53) GPR35MAOBALDH1A1MCL1TSHR
SCHEMBL16722825 0.80 GPR35 (0.39) GPR35MAOBALDH1A1TSHRPPARG
SCHEMBL21457027 0.78 MAOA (0.44) MAOB
SCHEMBL29625894 0.76 MCL1 (0.55) MAOBALDH1A1MCL1
SCHEMBL19147577 0.74 MCL1 (0.67) ALDH1A1MCL1PPARG
SCHEMBL29509339 0.73 LMNA (0.50) ALDH1A1MCL1SMN1; SMN2
SCHEMBL28686553 0.73 LMNA (0.50) ALDH1A1MCL1SMN1; SMN2
SCHEMBL29625900 0.72 KDM4E (0.50) GPR35MAOBALDH1A1TSHRSMN1; SMN2
SCHEMBL28635360 0.72 KDM4E (0.50) GPR35MAOBALDH1A1TSHRSMN1; 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
WO-2017122722-A1 BIHETEROCYCLIC COMPOUND 大日本住友製薬株式会社 2017-07-20 WO disclosed