SCHEMBL11285274

SCHEMBL11285274

CC(=O)Nc1ccc(C(=O)Nc2ccc(OC(=O)CCCC[PH](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.53
MEN1 O00255 5/20 0.53
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
CYP2C9 P11712 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 3/20 0.44
HTT P42858 1/20 0.44
HDAC1 Q13547 1/20 0.44
MAPK1 P28482 1/20 0.43
OPRK1 P41145 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL11283331 0.93 KMT2A (0.52) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11275519 0.93 ALDH1A1 (0.50) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11278162 0.92 NPC1 (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11280920 0.83 PPARA (0.52) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11275255 0.83 OPRK1 (0.54) KMT2AMEN1CACNA1BAPBA1NPC1
SCHEMBL11276667 0.82 PRSS1 (0.45) KMT2AMEN1RAB9AALDH1A1L3MBTL1
SCHEMBL19129557 0.80 KMT2A (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL16904844 0.80 KMT2A (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL19129612 0.80 KMT2A (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11281078 0.79 KMT2A (0.59) KMT2AMEN1CACNA1BAPBA1NPC1

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-4309441-A HYPOTENSIVE AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-01-05 US disclosed