SCHEMBL9472003

SCHEMBL9472003

Cc1cccc(NC(=O)NCC(=O)N(CC(=O)Oc2ccccc2)c2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
THRB P10828 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.43
FAAH O00519 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL9471767 0.90 THRB (0.50) MAPK1MEN1KMT2ANPC1RAB9A
SCHEMBL9297101 0.88 PKM (0.51) MEN1KMT2ANPC1RAB9ATHRB
SCHEMBL9297882 0.88 MAPT (0.46) MAPK1MEN1KMT2ANPC1RAB9A
SCHEMBL9156740 0.87 PKM (0.57) MEN1KMT2ANPC1RAB9ATHRB
SCHEMBL9157115 0.87 MEN1 (0.50) MAPK1MEN1KMT2ANPC1RAB9A
SCHEMBL9158384 0.87 MAPT (0.46) MAPK1MEN1KMT2ANPC1RAB9A
SCHEMBL9471775 0.87 MAPT (0.49) MEN1KMT2ANPC1RAB9ATHRB
SCHEMBL9471546 0.85 THRB (0.45) MAPK1MEN1KMT2ANPC1RAB9A
SCHEMBL9471257 0.85 THRB (0.45) MAPK1MEN1KMT2ANPC1RAB9A
SCHEMBL9298028 0.85 MEN1 (0.43) MAPK1MEN1KMT2ANPC1RAB9A

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