SCHEMBL9015258

SCHEMBL9015258

CCCCCc1cc(CCCCC)c(C#N)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 13/20 0.45
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
MAPK1 P28482 1/20 0.38
PARP1 P09874 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37

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
SCHEMBL9019307 0.82 GPR84 (0.45) GPR84KMT2AALDH1A1HSD17B10CTSV
SCHEMBL9019271 0.76 HCAR2 (0.47) GPR84KMT2A
SCHEMBL891281 0.76 GPR84 (0.49) GPR84KMT2ACTSVCTSLPARP1
SCHEMBL891164 0.74 GPR84 (0.51) GPR84KMT2ACTSVCTSLHIF1A
SCHEMBL891065 0.74 GPR84 (0.51) GPR84KMT2ACTSVCTSLHIF1A
SCHEMBL891178 0.74 GPR84 (0.51) GPR84KMT2ACTSVCTSLHIF1A
SCHEMBL16416384 0.69 TSHR (0.44) KMT2AALDH1A1HPGDHSD17B10
SCHEMBL8450876 0.69 TSHR (0.44) KMT2AALDH1A1HPGDHSD17B10
SCHEMBL2609819 0.69 TSHR (0.44) KMT2AALDH1A1HPGDHSD17B10
SCHEMBL891076 0.69 DAO (0.44) GPR84KMT2ACTSVCTSL

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
EP-0487870-B1 Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID CO (US) 1996-12-18 EP claimed