SCHEMBL493213

SCHEMBL493213

CN(C)C(c1ccccc1)C1CCC(NC(=O)CCNC(=O)c2nc(-c3ccc(Cl)cc3Cl)no2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
RAB9A P51151 3/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 2/20 0.39
CCR2 P41597 2/20 0.37
CNR1 P21554 3/20 0.37
MME P08473 1/20 0.36
SMYD3 Q9H7B4 2/20 0.35
CHRM4 P08173 1/20 0.35
ALDH1A1 P00352 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 0.89 SMN1; SMN2 (0.39) KMT2ARAB9ANPC1CCR2SMYD3
SCHEMBL493654 0.87 KMT2A (0.41) KMT2ARAB9ANCOA1NCOA3POLB
SCHEMBL493471 0.83 PRCP (0.44) RAB9ANPC1SMYD3
SCHEMBL493429 0.83 HPGD (0.51) KMT2A
SCHEMBL493504 0.82 SMN1; SMN2 (0.53) KMT2ARAB9APOLBNPC1ALDH1A1
SCHEMBL493223 0.82 RAB9A (0.38) KMT2ARAB9ANPC1CCR2
SCHEMBL493611 0.81 SMYD3 (0.43) KMT2ARAB9ANPC1SMYD3ALDH1A1
SCHEMBL492913 0.81 RAB9A (0.39) KMT2ARAB9ANPC1CCR2ALDH1A1
SCHEMBL493600 0.80 GHSR (0.40) KMT2ARAB9ANCOA1NCOA3POLB
SCHEMBL493049 0.79 KMT2A (0.38) KMT2ARAB9ANCOA1NCOA3POLB

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