SCHEMBL7958743

SCHEMBL7958743

Cc1cc(C)c([CH]c2cccc(Cl)n2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 8/20 0.40
RAPGEF4 Q8WZA2 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MPI P34949 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PSMB5 P28074 1/20 0.31
LMNA P02545 1/20 0.31
IDH1 O75874 4/20 0.31
IDH2 P48735 3/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL7970291 0.76 TP53 (0.44) NFE2L2CYP3A4TSHRCYP1A2KDM4E
SCHEMBL7968285 0.73 NFE2L2 (0.53) NFE2L2CYP3A4TSHRKDM4EALDH1A1
SCHEMBL1989599 0.69
SCHEMBL7969857 0.68 NFE2L2 (0.49) NFE2L2CYP1A2MEN1MAPTKMT2A
SCHEMBL2093323 0.67 RAPGEF4 (0.43) RAPGEF4TSHRCYP1A2CYP2A6KDM4E
SCHEMBL7969643 0.66 NFE2L2 (0.38) NFE2L2CYP3A4TSHRALDH1A1MAPT
SCHEMBL864373 0.65
SCHEMBL22579286 0.65
SCHEMBL22392916 0.65
SCHEMBL29953522 0.65

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
WO-2001017965-A2 CYANOPIPERIDINES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-03-15 WO disclosed