SCHEMBL493591

SCHEMBL493591

CN(C)C(CCc1ccccc1)C1CCC(NC(=O)CNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
CCR2 P41597 4/20 0.42
HDAC4 P56524 7/20 0.42
HDAC3 O15379 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
SMPD1 P17405 1/20 0.40
HDAC6 Q9UBN7 4/20 0.40
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL492980 0.93 KDM4E (0.45) SMN1; SMN2MAPTLMNAPKMKMT2A
SCHEMBL493677 0.87 KMT2A (0.49) MAPTKMT2A
SCHEMBL493674 0.87 TDP1 (0.38) SMN1; SMN2MAPTKMT2ACCR2
SCHEMBL493863 0.86 LMNA (0.48) SMN1; SMN2MAPTLMNAPKMKMT2A
SCHEMBL493354 0.85 CCR2 (0.42) SMN1; SMN2MAPTLMNAPKMKMT2A
SCHEMBL493502 0.85 KMT2A (0.40) SMN1; SMN2MAPTLMNAPKMKMT2A
SCHEMBL493221 0.85 SMN1; SMN2 (0.56) SMN1; SMN2MAPTLMNAPKMKMT2A
SCHEMBL493800 0.85 GHSR (0.38) SMN1; SMN2MAPTKMT2ACCR2
SCHEMBL493060 0.84 FAAH (0.44) SMN1; SMN2CCR2KCNH2
SCHEMBL493274 0.83 LIPG (0.36) SMN1; SMN2LMNACCR2

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