SCHEMBL11022085

SCHEMBL11022085

NC(Cc1ccccc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50
IDO1 P14902 2/20 0.47
TDO2 P48775 1/20 0.47
PPARA Q07869 1/20 0.46
SCN4A P35499 1/20 0.44
EPHX1 P07099 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PNMT P11086 1/20 0.43
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL11018686 0.83 LMNA (0.47) LMNATP53HTTIDO1TDO2
SCHEMBL1829730 0.82 EPHX1 (0.50) LMNAIDO1TDO2EPHX1SLC6A4
SCHEMBL11852010 0.77 PPARA (0.47) LMNATP53HTTIDO1TDO2
SCHEMBL11847753 0.76 MAPT (0.45) LMNATP53HTTIDO1TDO2
SCHEMBL15129327 0.74 TP53 (0.57) LMNATP53HTTIDO1TDO2
SCHEMBL3289611 0.74 SLC6A4 (0.52) IDO1TDO2SCN4AEPHX1MEN1
SCHEMBL1143487 0.74 TP53 (0.62) LMNATP53HTTIDO1TDO2
SCHEMBL10396654 0.74 TP53 (0.57) LMNATP53HTTIDO1TDO2
SCHEMBL14981213 0.74 TP53 (0.57) LMNATP53HTTIDO1TDO2
SCHEMBL2473424 0.74 CYP2D6 (0.52) LMNAIDO1TDO2EPHX1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4536599-A HYDROLYZING THE NITRILE DERIVATIVE TO THE AMIDE USING AN ORGANIC QUATERNARY AMINE SALT CATALYST; EFFICIENCY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-08-20 US disclosed
EP-0008532-B1 SYNTHESIS OF AMINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-07-20 EP disclosed
EP-0008532-A1 Synthesis of amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-03-05 EP disclosed