SCHEMBL7029494

SCHEMBL7029494

Cc1ccc(-c2ccc(/C(F)=C\CO)cc2)nn1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.34
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
P2RX7 Q99572 2/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL7029497 1.00 GPR119 (0.34) GPR119LMNASMN1; SMN2NPC1RAB9A
SCHEMBL27612774 0.84 GPR119 (0.36) GPR119LMNASMN1; SMN2NPC1RAB9A
SCHEMBL6881805 0.76 HDAC4 (0.37) P2RX7
SCHEMBL6881811 0.76 HDAC4 (0.37) P2RX7
SCHEMBL6881809 0.76 HDAC4 (0.37) P2RX7
SCHEMBL17051575 0.74 NPC1 (0.44) GPR119LMNASMN1; SMN2NPC1RAB9A
SCHEMBL6854227 0.72 ALDH1A1 (0.39) GPR119LMNASMN1; SMN2NPC1RAB9A
SCHEMBL6854224 0.72 ALDH1A1 (0.39) GPR119LMNASMN1; SMN2NPC1RAB9A
SCHEMBL12970083 0.72 FYN (0.41) LMNASMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL6850714 0.72 MEN1 (0.38) SMN1; SMN2NPC1RAB9AMAPTALDH1A1

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
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