SCHEMBL493654

SCHEMBL493654

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

nearest known ligand 0.41

Predicted protein targets (top 15)

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
CCR2 P41597 2/20 0.38
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SMYD3 Q9H7B4 2/20 0.37
MME P08473 1/20 0.36
CNR1 P21554 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 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
SCHEMBL493049 0.93 KMT2A (0.38) KMT2ARAB9ANCOA1NCOA3POLB
SCHEMBL493213 0.87 KMT2A (0.41) KMT2ARAB9ANCOA1NCOA3POLB
SCHEMBL494117 0.84 HPGD (0.50) KMT2ASMN1; SMN2TSHR
SCHEMBL493063 0.83 SMN1; SMN2 (0.59) KMT2ARAB9APOLBNPC1SMN1; SMN2
SCHEMBL494598 0.82 LMNA (0.44) KMT2ARAB9ANPC1SMN1; SMN2SMYD3
SCHEMBL493674 0.82 TDP1 (0.38) KMT2ARAB9ACCR2NPC1SMN1; SMN2
SCHEMBL493800 0.82 GHSR (0.38) KMT2ARAB9ANCOA1NCOA3POLB
SCHEMBL493502 0.79 KMT2A (0.40) KMT2ARAB9ACCR2NPC1SMN1; SMN2
SCHEMBL493274 0.78 LIPG (0.36) RAB9ACCR2NPC1SMN1; SMN2SMYD3
SCHEMBL493060 0.77 FAAH (0.44) RAB9ACCR2NPC1SMN1; SMN2TSHR

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