SCHEMBL9472191

SCHEMBL9472191

Cc1cccc(NC(=O)NCC(=O)N(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
PKM P14618 2/20 0.49
ALDH1A1 P00352 2/20 0.49
THRB P10828 1/20 0.49
MAPT P10636 3/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL9472100 0.92 MEN1 (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9470962 0.91 NPC1 (0.61) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9471740 0.87 KMT2A (0.59) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9298288 0.87 MEN1 (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9471983 0.86 EPHX1 (0.52) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9471491 0.85 ALDH1A1 (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9297101 0.85 PKM (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9471962 0.85 MEN1 (0.64) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9157115 0.84 MEN1 (0.50) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9471933 0.84 RAB9A (0.56) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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-5223529-A Nervous system and gastrointestinal disorders RHONE-POULENC SANTE (FR) 1993-06-29 US disclosed