SCHEMBL8802116

SCHEMBL8802116

Cc1nc(C)c(C(=O)NC(C#N)c2ccoc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
RECQL P46063 1/20 0.42
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 4/20 0.39
LCK P06239 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
CNR1 P21554 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.34

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
SCHEMBL8799758 0.87 CTSV (0.33) RAB9ARECQLCTSVCTSLCTSB
SCHEMBL8799757 0.80 LMNA (0.51) RAB9ARECQLCTSVCTSLCTSB
SCHEMBL8814094 0.80 RAB9A (0.43) RAB9ARECQLCTSVCTSLCTSB
SCHEMBL8799895 0.75 RAB9A (0.46) RAB9ARECQLCTSVCTSLCTSB
SCHEMBL7253284 0.74 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HTT
SCHEMBL10653239 0.74 CTSL (0.43) CTSVCTSLCTSSCTSKALDH1A1
SCHEMBL10657793 0.72 SMYD3 (0.45) RAB9ACTSVCTSLCTSSCTSK
SCHEMBL10338336 0.68 L3MBTL1 (0.43) RAB9ARECQLCTSVCTSLCTSB
SCHEMBL8800994 0.68 S1PR1 (0.36) RAB9ARECQLCTSVCTSLCTSB
SCHEMBL8799762 0.68 MEN1 (0.39) RAB9ACTSVCTSLCTSBCTSS

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 10 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
EP-0292937-B1 Amide derivatives, and their production and agricultural fungicides containing them SUMITOMO CHEMICAL CO (JP) 1994-08-10 EP 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
US-4918089-A THIAZOLE DERIVATIVES; CURATIVE, NONPHYTOTOXIC SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1990-04-17 US disclosed
EP-0292937-A1 Amide derivatives, and their production and agricultural fungicides containing them SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-30 EP disclosed