SCHEMBL9730417

SCHEMBL9730417

N#Cc1cc(C(F)(F)F)cc(C#N)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.39
KIF11 P52732 2/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
BRCA1 P38398 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CES2 O00748 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
RPS6KA3 P51812 1/20 0.36
JAK3 P52333 1/20 0.36
XDH P47989 2/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TRPV4 Q9HBA0 1/20 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
SCHEMBL9581992 0.90 ADRB2 (0.41) ARKIF11ALOX5APFEN1ALDH1A1
SCHEMBL2370038 0.90 ALDH1A1 (0.44) ARKIF11ALOX5APFEN1ALDH1A1
SCHEMBL463526 0.88 ALOX5AP (0.40) ARKIF11ALOX5APFEN1ALDH1A1
SCHEMBL23301575 0.88 AR (0.46) AR
SCHEMBL20660587 0.88 HTT (0.38) ARKIF11ALOX5APFEN1TSHR
SCHEMBL9581766 0.86 GABRP (0.42) ARALDH1A1KDM4E
SCHEMBL8429156 0.79 ALDH1A1 (0.64) ALDH1A1KDM4EALOX15XDHTSHR
SCHEMBL25983230 0.79 AR (0.40) ARKIF11CES2CYP11B1CYP11B2
SCHEMBL10670312 0.78 PTPN5 (0.37) ARKIF11ALOX5APFEN1ALDH1A1
SCHEMBL27614060 0.78 PTPN5 (0.37) ARKIF11ALOX5APFEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398499-A2 Insecticides ZENECA LIMITED (GB) 1990-11-22 EP claimed
US-5109004-A Cyano phenyl-substituted with heterocylic compound; insecticides, miticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-28 US disclosed
EP-0398499-A2 Insecticides ZENECA LIMITED (GB) 1990-11-22 EP disclosed
US-4059402-A SUBLIMATION, MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-11-22 US disclosed