SCHEMBL493049

SCHEMBL493049

CN(C)C(CCc1ccccc1)C1CCC(NC(=O)CNC(=O)c2nc(-c3ccc(Cl)cc3Cl)no2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
RAB9A P51151 4/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
POLB P06746 2/20 0.37
CCR2 P41597 2/20 0.37
MME P08473 1/20 0.37
CNR1 P21554 2/20 0.36
NPC1 O15118 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DPP4 P27487 1/20 0.35
SMYD3 Q9H7B4 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL493654 0.93 KMT2A (0.41) KMT2ARAB9ANCOA1NCOA3POLB
SCHEMBL493674 0.89 TDP1 (0.38) KMT2ARAB9ACCR2NPC1SMN1; SMN2
SCHEMBL493800 0.89 GHSR (0.38) KMT2ARAB9ANCOA1NCOA3POLB
SCHEMBL493502 0.86 KMT2A (0.40) KMT2ARAB9ACCR2NPC1SMN1; SMN2
SCHEMBL493274 0.85 LIPG (0.36) RAB9ACCR2NPC1SMN1; SMN2SMYD3
SCHEMBL493060 0.84 FAAH (0.44) RAB9ACCR2NPC1SMN1; SMN2
SCHEMBL493677 0.83 KMT2A (0.49) KMT2AKDM4EMAPT
SCHEMBL493221 0.83 SMN1; SMN2 (0.56) KMT2ARAB9APOLBNPC1SMN1; SMN2
SCHEMBL492980 0.82 KDM4E (0.45) KMT2ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL493354 0.82 CCR2 (0.42) KMT2ARAB9ACCR2NPC1SMN1; SMN2

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