SCHEMBL494528

SCHEMBL494528

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GCGR P47871 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
CCR2 P41597 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37

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
SCHEMBL492913 0.92 RAB9A (0.39) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL493213 0.89 KMT2A (0.41) ALDH1A1NPC1RAB9ACCR2KMT2A
SCHEMBL493429 0.88 HPGD (0.51) HPGDKDM4EMAPTKMT2A
SCHEMBL493611 0.86 SMYD3 (0.43) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL493471 0.85 PRCP (0.44) NPC1RAB9ATSHRKDM4ESMYD3
SCHEMBL493504 0.84 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL493600 0.82 GHSR (0.40) NPC1RAB9ACCR2KDM4EMAPT
SCHEMBL493223 0.82 RAB9A (0.38) NPC1RAB9ACCR2KDM4EMAPT
SCHEMBL493820 0.80 RAB9A (0.40) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL493737 0.80 KMT2A (0.49) HPGDKDM4EMAPTKMT2A

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