SCHEMBL14072399

SCHEMBL14072399

CCCc1cccc(C(=O)N(C)C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KAT6A Q92794 2/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ PPARG P37231 2/20 0.41
▸ CYP4F2 P78329 3/20 0.41
▸ CYP4A11 Q02928 3/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ MAP1LC3B Q9GZQ8 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
SCHEMBL1692133 0.88 KMT2A (0.47) KAT6AKMT2AMEN1PPARGCYP4F2
SCHEMBL10268514 0.84 KMT2A (0.50) KAT6AKMT2AMEN1PPARGCYP4F2
SCHEMBL1690680 0.84 KMT2A (0.44) KMT2AMEN1PPARGADORA3ADORA2A
SCHEMBL10272782 0.82 KMT2A (0.50) KAT6AKMT2AMEN1PPARGCYP4F2
SCHEMBL24721325 0.82 KMT2A (0.45) KMT2AMEN1PPARGADORA3ADORA2A
SCHEMBL10268480 0.81 KMT2A (0.55) KAT6AKMT2AMEN1PPARGCYP4F2
SCHEMBL1696543 0.81 KMT2A (0.47) KAT6AKMT2AMEN1PPARGCYP4F2
SCHEMBL3697259 0.79 CYP4F2 (0.48) KAT6AKMT2AMEN1PPARGCYP4F2
SCHEMBL1696458 0.78 KMT2A (0.77) KMT2AMEN1PPARGL3MBTL1SMN1; SMN2
SCHEMBL1696343 0.78 L3MBTL1 (0.55) KAT6AKMT2AMEN1PPARGL3MBTL1

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-7429604-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2008-09-30 — — US disclosed
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