SCHEMBL11537320

SCHEMBL11537320

CC(=O)NCC(=O)N(C)Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.69
RAB9A P51151 3/20 0.69
KMT2A Q03164 5/20 0.58
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
PYGL P06737 1/20 0.51
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSPO P30536 1/20 0.50
MEN1 O00255 1/20 0.49
MAPK14 Q16539 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.47
RIPK1 Q13546 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
SCHEMBL7135596 0.83 NPC1 (0.73) NPC1RAB9AKMT2ACA12CA9
SCHEMBL25139681 0.81 MTNR1A (0.48) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL20954579 0.81 NPC1 (0.82) NPC1RAB9AKMT2ACA12CA9
SCHEMBL8090586 0.81 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1TSPO
SCHEMBL11192974 0.79 NPC1 (0.85) NPC1RAB9AKMT2ACA12CA9
SCHEMBL5639645 0.79 NPC1 (0.67) NPC1RAB9AKMT2ACA12CA9
SCHEMBL5639640 0.79 NPC1 (0.67) NPC1RAB9AKMT2ACA12CA9
SCHEMBL14617669 0.77 SMN1; SMN2 (0.68) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3163935 0.77 NPC1 (0.75) NPC1RAB9AKMT2ACA12CA9
SCHEMBL544272 0.77 NPC1 (0.75) NPC1RAB9AKMT2ACA12CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4150143-A N-Substituted-acylamino-oxazoles as antiasthma agents LILLY INDUSTRIES LIMITED (GB) 1979-04-17 US disclosed
US-4122183-A ANTIASTHMATIC LILLY INDUSTRIES LIMITED (GB) 1978-10-24 US disclosed