SCHEMBL11799632

SCHEMBL11799632

CNc1c(Cl)cc(Cl)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 1/20 0.38
▸ RAPGEF4 Q8WZA2 1/20 0.36
▸ SRC P12931 10/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.34
▸ PGK1 P00558 1/20 0.34
▸ PRKCQ Q04759 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ KCNH2 Q12809 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
SCHEMBL14350114 0.79 GPR35 (0.35) GPR35RAPGEF4SRCABL1BCR
SCHEMBL14376109 0.79 PGK1 (0.49) GPR35RAPGEF4SRCPGK1ADORA1
SCHEMBL2090288 0.78 RAPGEF4 (0.46) RAPGEF4SRCHPGDALDH1A1
SCHEMBL23689911 0.77 AR (0.42) RAPGEF4ALDH1A1
SCHEMBL10429296 0.72 TTR (0.37) GPR35SLC6A4SLC6A3KCNH2
SCHEMBL1340231 0.72 ALDH1A1 (0.56) GPR35TRPV4HPGDALDH1A1SLC6A3
SCHEMBL8111333 0.72 GPR35 (0.41) GPR35TRPV4PGK1HPGDALDH1A1
SCHEMBL16119585 0.72 SRC (0.43) SRCTRPV4HPGDALDH1A1KCNH2
SCHEMBL1922370 0.72 PRKCQ (0.39) SRCABL1BCRPGK1PRKCQ
SCHEMBL3077861 0.72 ALDH1A1 (0.52) GPR35TRPV4HPGDALDH1A1

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-3987192-A ANTIALLERGENS AND ANTIANAPHYLAXID; 2'-CYANO-OXANILIC ACID THE UPJOHN COMPANY (US) 1976-10-19 — — US disclosed
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