SCHEMBL492913

SCHEMBL492913

CN(C)C(c1ccccc1)C1CCC(NC(=O)CNC(=O)c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
GPR139 Q6DWJ6 2/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CCR2 P41597 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LIPG Q9Y5X9 1/20 0.35

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
SCHEMBL494528 0.92 SMN1; SMN2 (0.39) RAB9AKMT2AKDM4EMAPTCCR2
SCHEMBL493600 0.90 GHSR (0.40) RAB9AGPR139KMT2AKDM4EMAPT
SCHEMBL493223 0.90 RAB9A (0.38) RAB9AGPR139KMT2AKDM4EMAPT
SCHEMBL493820 0.88 RAB9A (0.40) RAB9AGPR139CCR2ALDH1A1HPGD
SCHEMBL493737 0.87 KMT2A (0.49) KMT2AKDM4EMAPTHPGD
SCHEMBL493647 0.86 KDM4E (0.48) KMT2AKDM4EMAPTCCR2ALDH1A1
SCHEMBL493674 0.86 TDP1 (0.38) RAB9AKMT2AKDM4EMAPTCCR2
SCHEMBL493863 0.86 LMNA (0.48) KMT2AMAPTCCR2SMN1; SMN2
SCHEMBL494415 0.84 TSHR (0.42) RAB9AKMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL493779 0.84 SMN1; SMN2 (0.52) RAB9AKMT2AKDM4EMAPTALDH1A1

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
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed