SCHEMBL493863

SCHEMBL493863

CN(C)C(c1ccccc1)C1CCC(NC(=O)CNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.46
CCR2 P41597 4/20 0.44
HDAC4 P56524 6/20 0.43
SMPD1 P17405 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL493647 0.93 KDM4E (0.48) LMNAPKMKMT2ASMN1; SMN2MAPT
SCHEMBL494420 0.89 LMNA (0.46) LMNAPKMKMT2ASMN1; SMN2MAPT
SCHEMBL493591 0.86 SMN1; SMN2 (0.47) LMNAPKMKMT2ASMN1; SMN2MAPT
SCHEMBL493737 0.86 KMT2A (0.49) KMT2AMAPT
SCHEMBL492913 0.86 RAB9A (0.39) KMT2ASMN1; SMN2MAPTCCR2
SCHEMBL493779 0.84 SMN1; SMN2 (0.52) LMNAPKMKMT2ASMN1; SMN2MAPT
SCHEMBL494415 0.84 TSHR (0.42) PKMKMT2ASMN1; SMN2
SCHEMBL493600 0.84 GHSR (0.40) PKMKMT2AMAPTCCR2
SCHEMBL493820 0.83 RAB9A (0.40) SMN1; SMN2CCR2
SCHEMBL493461 0.82 KDM4E (0.45) LMNAPKMKMT2ASMN1; SMN2MAPT

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