SCHEMBL31440810

SCHEMBL31440810

Cc1nc(Cl)c(Br)cc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.33
▸ DHODH Q02127 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ HSD11B1 P28845 2/20 0.32
▸ AR P10275 2/20 0.31
▸ CFTR P13569 2/20 0.31
▸ NT5E P21589 1/20 0.31
▸ NOTUM Q6P988 3/20 0.30
▸ MBOAT4 Q96T53 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ XPO1 O14980 1/20 0.30

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
SCHEMBL26615783 1.00 HTT (0.33) HTTDHODHHSP90AA1HSP90AB1HSD11B1
SCHEMBL30631410 0.77 NQO2 (0.36) HTTDHODHHSP90AA1HSP90AB1HSD11B1
SCHEMBL26615963 0.77 NQO2 (0.36) HTTDHODHHSP90AA1HSP90AB1HSD11B1
SCHEMBL11278333 0.77 PIK3CD (0.36) CFTRNT5EMBOAT4HPGDHSD17B10
SCHEMBL25251476 0.74 NQO2 (0.39) HTTHPGD
SCHEMBL30309241 0.74 NQO2 (0.39) HTTHPGD
SCHEMBL30631413 0.73 NQO2 (0.33) HTTMBOAT4HPGD
SCHEMBL15195547 0.73 NQO2 (0.33) HTTMBOAT4HPGD
SCHEMBL31018120 0.72 AR (0.35) HTTHSD11B1ARNOTUMMBOAT4
SCHEMBL21956967 0.72 AR (0.35) HTTHSD11B1ARNOTUMMBOAT4

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-119677737-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-03-21 — — CN disclosed
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