SCHEMBL494420

SCHEMBL494420

CN(C)C(c1cccs1)C1CCC(NC(=O)CNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.44
CCR2 P41597 6/20 0.43
HDAC4 P56524 6/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMPD1 P17405 1/20 0.39
HDAC6 Q9UBN7 2/20 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
SCHEMBL493461 0.94 KDM4E (0.45) LMNAPKMKMT2ASMN1; SMN2MAPT
SCHEMBL493863 0.89 LMNA (0.48) LMNAPKMKMT2ASMN1; SMN2MAPT
SCHEMBL493647 0.82 KDM4E (0.48) LMNAPKMKMT2ASMN1; SMN2MAPT
SCHEMBL493591 0.81 SMN1; SMN2 (0.47) LMNAPKMKMT2ASMN1; SMN2MAPT
SCHEMBL493779 0.79 SMN1; SMN2 (0.52) LMNAPKMKMT2ASMN1; SMN2MAPT
SCHEMBL493514 0.76 HDAC4 (0.44) LMNAPKMKMT2ASMN1; SMN2MAPT
SCHEMBL493737 0.75 KMT2A (0.49) KMT2AMAPT
SCHEMBL492980 0.75 KDM4E (0.45) LMNAPKMKMT2ASMN1; SMN2MAPT
SCHEMBL492913 0.74 RAB9A (0.39) KMT2ASMN1; SMN2MAPTCCR2NPC1
SCHEMBL494415 0.73 TSHR (0.42) PKMKMT2ASMN1; SMN2NPC1RAB9A

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