SCHEMBL20084283

SCHEMBL20084283

Cc1cc2cc(C(=O)/C(C#N)=C/N(C)C)n(I)c2cc1N[S+](C)[O-]

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.35
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 3/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ RECQL P46063 1/20 0.31
▸ CYP2C9 P11712 1/20 0.30
▸ NPC1 O15118 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
SCHEMBL20085372 0.85 HPGD (0.41) HPGDLMNARAB9AL3MBTL1ALDH1A1
SCHEMBL20084345 0.84 HPGD (0.36) HPGDLMNARAB9AL3MBTL1ALDH1A1
SCHEMBL20084762 0.80 HPGD (0.35) HPGDLMNARAB9AL3MBTL1ALDH1A1
SCHEMBL20084128 0.79 RAB9A (0.32) HPGDLMNARAB9AL3MBTL1ALDH1A1
SCHEMBL20084976 0.79 HPGD (0.38) HPGDLMNARAB9AL3MBTL1ALDH1A1
SCHEMBL20085151 0.78 HPGD (0.36) HPGDLMNARAB9AL3MBTL1ALDH1A1
SCHEMBL20085328 0.77 RAB9A (0.39) HPGDLMNARAB9AL3MBTL1ALDH1A1
SCHEMBL20084189 0.77 ALDH1A1 (0.36) HPGDLMNARAB9AL3MBTL1ALDH1A1
SCHEMBL18331951 0.77 ALDH1A1 (0.36) HPGDLMNARAB9AL3MBTL1ALDH1A1
SCHEMBL20084127 0.76 ALDH1A1 (0.30) HPGDRAB9AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312172-B1 AMINOPYRAZOLE DERIVATIVES USEFUL AS SRC KINASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-05-06 — — EP disclosed
EP-3312172-A1 AMINOPYRAZOLE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 2018-04-25 — — EP disclosed
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