SCHEMBL29705679

SCHEMBL29705679

FC(F)(F)COc1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.55
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 2/20 0.45
GPR3 P46089 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SOD1 P00441 1/20 0.45
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL1471132 1.00 MAOB (0.55) MAOBALDH1A1MAPTRAB9AGPR3
SCHEMBL10972329 0.86 MAPT (0.59) ALDH1A1MAPTGPR3HTTL3MBTL1
SCHEMBL16108829 0.85 MAOB (0.51) MAOBALDH1A1MAPTRAB9AHTT
SCHEMBL27075523 0.85 MAOB (0.51) MAOBALDH1A1MAPTRAB9AHTT
SCHEMBL23363616 0.82 MAOB (0.49) MAOBALDH1A1MAPTRAB9AHTT
SCHEMBL14241249 0.82 MAOB (0.49) MAOBALDH1A1MAPTRAB9AHTT
SCHEMBL29899125 0.82 MAOB (0.49) MAOBALDH1A1MAPTRAB9AHTT
SCHEMBL14227129 0.82 MAOB (0.49) MAOBALDH1A1MAPTRAB9AHTT
SCHEMBL2795588 0.81 MAOB (0.54) MAOBALDH1A1MAPTRAB9AHTT
SCHEMBL3636719 0.81 MAOB (0.55) MAOBALDH1A1MAPTRAB9AHTT

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-114555573-A Prostaglandin E2(PGE2)EP4Receptor antagonists 多曼治疗学公司 2022-05-27 CN disclosed