SCHEMBL11544477

SCHEMBL11544477

CCCC(=O)Nc1nc(CC)co1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
ADORA1 P30542 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
ADORA2A P29274 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2B P29275 1/20 0.39
ALDH1A1 P00352 5/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL11536470 0.82 CYP2C19 (0.44) TP53ADORA1KDM4EHPGDADORA2A
SCHEMBL11540720 0.81 CCNE2 (0.48) ADORA1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL11542530 0.76 ACSS2 (0.37) TP53KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL11536828 0.74 KDM4E (0.39) TP53KDM4EMEN1KMT2AMAPT
SCHEMBL11542179 0.73 ALDH1A1 (0.47) ADORA1HPGDADORA3ALDH1A1RAB9A
SCHEMBL11544586 0.72 LMNA (0.46) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL11538934 0.71 LMNA (0.48) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL28549890 0.70 HSD11B1 (0.46) TP53ADORA1KDM4EADORA2AADORA3
SCHEMBL28556119 0.70 HSD11B1 (0.50) TP53ADORA1ADORA2AADORA3ALDH1A1
SCHEMBL1527363 0.70 LMNA (0.44) ADORA1KDM4EHPGDALDH1A1RAB9A

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