SCHEMBL10371096

SCHEMBL10371096

Oc1ccc2[nH]nc(NCCCCCCN3CCCCC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.44
▸ HRH3 Q9Y5N1 12/20 0.43
▸ KMT5A Q9NQR1 4/20 0.41
▸ MAP2K7 O14733 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41

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
SCHEMBL10368034 0.95 HRH3 (0.45) ACHEHRH3
SCHEMBL10368865 0.95 HRH3 (0.45) ACHEHRH3
SCHEMBL10370014 0.94 HRH3 (0.43) HRH3KMT5AMAP2K7ESR1ESR2
SCHEMBL10370852 0.86 HRH3 (0.54) ACHEHRH3
SCHEMBL10371678 0.84 CDC7 (0.51) —
SCHEMBL10831306 0.83 HRH3 (0.54) ACHEHRH3
SCHEMBL10371460 0.83 GSK3B (0.40) ACHEMAP2K7
SCHEMBL10367631 0.82 GSK3B (0.41) ACHEMAP2K7
SCHEMBL10368910 0.82 CYP2D6 (0.45) ACHE
SCHEMBL10369412 0.81 HRH3 (0.53) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0090972-B1 INDAZOLE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1990-05-30 — — EP disclosed
US-4533731-A ANTIINFLAMMATORY AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-08-06 — — US disclosed
EP-0090972-A2 Indazole derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-10-12 — — EP disclosed
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