SCHEMBL493674

SCHEMBL493674

CN(C)C(CCc1ccccc1)C1CCC(NC(=O)CNC(=O)c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 2/20 0.37
CCR2 P41597 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
SMYD3 Q9H7B4 2/20 0.36

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
SCHEMBL493800 0.91 GHSR (0.38) TDP1SMN1; SMN2TSHRHTTATM
SCHEMBL493049 0.89 KMT2A (0.38) SMN1; SMN2KDM4EMAPTKMT2ARAB9A
SCHEMBL493677 0.88 KMT2A (0.49) KDM4EMAPTKMT2AHPGD
SCHEMBL492980 0.87 KDM4E (0.45) TDP1SMN1; SMN2TSHRHTTATM
SCHEMBL493354 0.87 CCR2 (0.42) TDP1SMN1; SMN2TSHRHTTATM
SCHEMBL493591 0.87 SMN1; SMN2 (0.47) SMN1; SMN2MAPTKMT2ACCR2
SCHEMBL492913 0.86 RAB9A (0.39) TDP1SMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL493060 0.85 FAAH (0.44) SMN1; SMN2TSHRHTTRAB9ACCR2
SCHEMBL493502 0.85 KMT2A (0.40) SMN1; SMN2TSHRMAPTKMT2ARAB9A
SCHEMBL493221 0.85 SMN1; SMN2 (0.56) SMN1; SMN2TSHRHTTMAPTKMT2A

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