SCHEMBL31047362

SCHEMBL31047362

FC1(F)CN(c2cnc3cccc(Br)c3n2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 4/20 0.41
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ NPC1 O15118 6/20 0.37
▸ RAB9A P51151 6/20 0.37
▸ MAPT P10636 5/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ NFKB1 P19838 2/20 0.37
▸ NFKB2 Q00653 2/20 0.37
▸ RELA Q04206 2/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL31047363 0.77 PDE10A (0.38) METHCRTR1HCRTR2NPC1RAB9A
SCHEMBL31047332 0.72 ACACB (0.38) MAPTSMN1; SMN2ALDH1A1HTR3AHRH4
SCHEMBL31047360 0.71 HCAR2 (0.41) HCAR2
SCHEMBL31047361 0.71 HCAR2 (0.41) HCAR2
SCHEMBL15228809 0.71 EGFR (0.36) HTTMEN1KMT2APDE10AKDM4E
SCHEMBL23967086 0.69 GRIN2D (0.49) ALDH1A1NFKB1HTR3AMEN1KMT2A
SCHEMBL2799754 0.67 PDPK1 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21638319 0.67 NQO2 (0.43) RAB9AMAPTALDH1A1GAAHPGD
SCHEMBL27344458 0.66 CYP11B1 (0.32) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL17316625 0.66 GRIN2D (0.47) NPC1RAB9AMAPTALDH1A1PDE10A

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-2024149189-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2024-07-18 — — WO disclosed
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