SCHEMBL6850935

SCHEMBL6850935

[CH2]/C=C/c1ccc(-c2ncon2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.36
PPARA Q07869 1/20 0.36
BRD4 O60885 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL6878179 0.79 ALDH1A1 (0.43) KMOPPARABRD4GPR119
SCHEMBL6878182 0.79 ALDH1A1 (0.43) KMOPPARABRD4GPR119
SCHEMBL6854517 0.78 ALDH1A1 (0.39) KMOPPARAGPR119
SCHEMBL6854521 0.78 ALDH1A1 (0.39) KMOPPARAGPR119
SCHEMBL6851712 0.78 BRD4 (0.42) KMOPPARABRD4NPC1RAB9A
SCHEMBL19356875 0.75 KMO (0.40) KMOPPARAGPR119
SCHEMBL6226582 0.73 CLK4 (0.44) NPC1RAB9A
SCHEMBL16907809 0.71 NR1H4 (0.44) KMOPPARANPC1RAB9ASMN1; SMN2
SCHEMBL6854121 0.71 NPC1 (0.43) KMOPPARANPC1RAB9ASMN1; SMN2
SCHEMBL1188116 0.71 MEN1 (0.50) KMOPPARANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed