SCHEMBL9809106

SCHEMBL9809106

CN1N(c2cccc(Cl)n2)C(=O)CC1(C)SC#N

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 3/20 0.38
▸ HTR3B O95264 3/20 0.38
▸ HTR3A P46098 3/20 0.38
▸ HTR3D Q70Z44 3/20 0.38
▸ HTR3C Q8WXA8 3/20 0.38
▸ ALOX5 P09917 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ MAPT P10636 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
SCHEMBL17035282 0.64 ALOX5 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9809111 0.61 CYP19A1 (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18334526 0.60 PDCD1 (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2383995 0.56 HTR3A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29364707 0.56 HTR3A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL26685500 0.56 CNR2 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7391235 0.55 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3781918 0.55 ALOX5 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL9132878 0.55 HTR3A (0.96) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9809091 0.55 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C

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
US-5063245-A Hormone inhibitors NOVA PHARMACEUTICAL CORPORATION (US) 1991-11-05 — — US disclosed
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