SCHEMBL8799758

SCHEMBL8799758

CCc1nc(C)sc1C(=O)NC(C#N)c1ccoc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
PDE2A O00408 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALOX5 P09917 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 2/20 0.30
NPC1 O15118 1/20 0.30
RECQL P46063 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
SCHEMBL8802116 0.87 RAB9A (0.42) CTSVCTSLCTSBCTSSCTSK
SCHEMBL8800994 0.82 S1PR1 (0.36) CTSVCTSLCTSBCTSSCTSK
SCHEMBL8799762 0.82 MEN1 (0.39) CTSVCTSLCTSBCTSSCTSK
SCHEMBL8798660 0.77 RAB9A (0.39) CTSVCTSLCTSBCTSSCTSK
SCHEMBL10431200 0.71 CTSV (0.35) CTSVCTSLCTSBCTSSCTSK
SCHEMBL7253284 0.71 ALDH1A1 (0.36) ALDH1A1ALOX5HTT
SCHEMBL10657793 0.71 SMYD3 (0.45) CTSVCTSLCTSSCTSKPDE2A
SCHEMBL9532579 0.71 RAB9A (0.37) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL10653239 0.70 CTSL (0.43) CTSVCTSLCTSSCTSKPDE2A
SCHEMBL10431301 0.70 NPC1 (0.32) CTSVCTSLCTSBCTSSCTSK

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-0517476-B1 Benzimidazole derivatives, a method for producing the same, agricultural and horticultural fungicides containing the same as an active ingredient and intermediate compounds thereof SUMITOMO CHEMICAL CO (JP) 1997-10-08 EP claimed
EP-0517476-A2 Benzimidazole derivatives, a method for producing the same, agricultural and horticultural fungicides containing the same as an active ingredient and intermediate compounds thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-12-09 EP claimed
EP-0517476-B1 Benzimidazole derivatives, a method for producing the same, agricultural and horticultural fungicides containing the same as an active ingredient and intermediate compounds thereof SUMITOMO CHEMICAL CO (JP) 1997-10-08 EP disclosed
US-5472974-A Benzimidazole derivatives, agricultural and horticultural fungicides containing the same as an active ingredient and intermediate compounds thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-12-05 US disclosed
US-5395952-A Nonphytotoxic SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-07 US disclosed
US-5310747-A Benzimidazole derivatives, agricultural and horticultural fungicides containing the same as an active ingredient and intermediate compounds thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-05-10 US disclosed
EP-0517476-A2 Benzimidazole derivatives, a method for producing the same, agricultural and horticultural fungicides containing the same as an active ingredient and intermediate compounds thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-12-09 EP disclosed