SCHEMBL7034028

SCHEMBL7034028

CCc1cnc(-c2ccc(C(F)=CCO)cc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.40
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 3/20 0.33
DEGS1 O15121 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
METAP2 P50579 1/20 0.31
CA12 O43570 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
SCHEMBL7034027 1.00 RARB (0.40) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL27612883 0.86 RARB (0.42) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL7033287 0.83 HDAC4 (0.36) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL7033286 0.83 HDAC4 (0.36) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL6869730 0.79 ADRB2 (0.43) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL6869726 0.79 ADRB2 (0.43) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL6877431 0.79 ADRB2 (0.43) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL16562717 0.75 RARB (0.46) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL12970138 0.75 RAB9A (0.46) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL7231979 0.74 RARB (0.51) RARBRAB9ANPC1SMN1; SMN2KDM4E

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