SCHEMBL28576254

SCHEMBL28576254

ClCc1ncc(C2CC2)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRS3 P32247 1/20 0.35
▸ NPY5R Q15761 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ DAO P14920 1/20 0.31
▸ YTHDF3 Q7Z739 1/20 0.31
▸ YTHDF1 Q9BYJ9 1/20 0.31
▸ YTHDF2 Q9Y5A9 1/20 0.31
▸ IGF1R P08069 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
SCHEMBL19117165 0.80 KDM1A (0.35) BRS3NPY5RKDM1ADAOYTHDF3
SCHEMBL19521677 0.72 NPY5R (0.44) BRS3NPY5RKDM1ADAO
SCHEMBL22365025 0.68 — —
SCHEMBL19077856 0.68 KDM1A (0.35) NPY5RKDM1AYTHDF3YTHDF1YTHDF2
SCHEMBL30077041 0.66 NPY5R (0.43) NPY5RKDM1A
SCHEMBL15347477 0.66 NPY5R (0.43) NPY5RKDM1A
SCHEMBL3712482 0.66 — —
SCHEMBL19087053 0.65 CCNA2 (0.32) NPY5RKDM1A
Hydrochloric Acid SCHEMBL4228688 0.64 — —
SCHEMBL30364270 0.62 GSK3B (0.41) BRS3NPY5RKDM1AYTHDF3YTHDF1

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-112135825-A Plasma kallikrein inhibitors and uses thereof 夏尔人类遗传性治疗公司 2020-12-25 — — CN disclosed
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