SCHEMBL31067621

SCHEMBL31067621

COC(=O)Nc1cc(C2CC2Br)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ CHRNA1 P02708 1/20 0.36
▸ CHRNG P07510 1/20 0.36
▸ ITGA5 P08648 1/20 0.36
▸ CHRNB1 P11230 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 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
SCHEMBL29245879 1.00 GLA (0.40) GLAHPGDMAPTRAB9ANPC1
SCHEMBL29245886 0.86 KDM1A (0.51) —
SCHEMBL31067540 0.86 KDM1A (0.51) —
SCHEMBL28721684 0.75 F10 (0.44) GLA
SCHEMBL4827923 0.74 HPGD (0.70) GLAHPGDMAPTRAB9ANPC1
SCHEMBL31456830 0.72 CYP1A2 (0.46) NPC1MEN1KMT2A
SCHEMBL2306460 0.71 KDR (0.49) HPGDMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL9615374 0.71 RAB9A (0.58) HPGDMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL29245880 0.70 HPGD (0.41) GLAHPGDMAPTRAB9ANPC1
SCHEMBL22279549 0.68 HPGD (0.50) HPGDMAPTRAB9ANPC1SMN1; 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
CN-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 — — CN disclosed
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