SCHEMBL11018686

SCHEMBL11018686

NC(CCc1ccccc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
METAP2 P50579 2/20 0.46
IDO1 P14902 2/20 0.45
TDO2 P48775 2/20 0.45
MGLL Q99685 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC8 Q9BY41 1/20 0.41
GRIN2B Q13224 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL11022085 0.83 LMNA (0.50) LMNATP53HTTIDO1TDO2
SCHEMBL11856958 0.78 ATM (0.45) LMNAMETAP2IDO1TDO2MGLL
SCHEMBL11472432 0.77 MAPT (0.43) LMNATP53HTTMETAP2IDO1
SCHEMBL17513258 0.76 TP53 (0.53) LMNATP53HTTIDO1TDO2
SCHEMBL14677340 0.75 TP53 (0.61) LMNATP53HTTIDO1TDO2
SCHEMBL11853400 0.72 L3MBTL1 (0.51) LMNAMETAP2L3MBTL1ATMMEN1
SCHEMBL14981213 0.72 TP53 (0.57) LMNATP53HTTIDO1TDO2
SCHEMBL10396654 0.72 TP53 (0.57) LMNATP53HTTIDO1TDO2
SCHEMBL15129327 0.72 TP53 (0.57) LMNATP53HTTIDO1TDO2
SCHEMBL1143487 0.72 TP53 (0.62) LMNATP53HTTIDO1TDO2

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