SCHEMBL6982992

SCHEMBL6982992

Cc1c(C#N)ccc(S)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 10/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TRPV4 Q9HBA0 3/20 0.36
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ GRM6 O15303 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL17570551 0.81 TSHR (0.42) ARTSHRGRM6KDM4EALDH1A1
SCHEMBL27947357 0.79 TRPV4 (0.40) ARTSHRTRPV4MAOAMAOB
SCHEMBL29398131 0.77 TSHR (0.44) ARTSHRGRM6KDM4ETDP1
SCHEMBL8852021 0.77 TSHR (0.44) ARTSHRGRM6KDM4ETDP1
SCHEMBL27947352 0.77 TRPV4 (0.39) ARTSHRTRPV4MAOAMAOB
SCHEMBL27930552 0.77 TRPV4 (0.39) ARTSHRTRPV4MAOAMAOB
SCHEMBL1585098 0.75 AR (0.52) ARTSHRTRPV4KDM4EALDH1A1
SCHEMBL14602399 0.75 TRPV4 (0.42) TSHRTRPV4MAOAMAOBKDM4E
SCHEMBL27714367 0.74 AR (0.37) ARTSHRGRM6ALDH1A1HPGD
SCHEMBL9575173 0.74 GRM6 (0.41) ARTSHRGRM6KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177194-B1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AG (DE) 2003-09-17 — — EP disclosed
US-6541423-B1 Controlling vegatation BASF AKTIENGESELLSCHAFT (DE) 2003-04-01 — — US disclosed
EP-1177194-A1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-02-06 — — EP disclosed
EP-0945449-B1 Process for the preparation of saccharincarboxylic acid halides BASF AG (DE) 2001-05-23 — — EP disclosed
WO-2000068228-A1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 — — WO disclosed
US-5981758-A Preparation of saccharincarbonyl halides BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 — — US disclosed
EP-0945449-A1 Process for the preparation of saccharincarboxylic acid halides BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 — — EP disclosed
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