SCHEMBL27612883

SCHEMBL27612883

C/C=C(\F)c1ccc(-c2ncc(CC)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.42
RAB9A P51151 8/20 0.42
NPC1 O15118 7/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
KDM4E B2RXH2 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 4/20 0.35
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
METAP2 P50579 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL7034028 0.86 RARB (0.40) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL7034027 0.86 RARB (0.40) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL803074 0.78 TP53 (0.50) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL14156663 0.77 RAB9A (0.61) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL8370968 0.77 LMNA (0.42) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL8526877 0.76 TP53 (0.48) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL16560005 0.76 RARB (0.46) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL8753771 0.75 RAB9A (0.42) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL12970138 0.75 RAB9A (0.46) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL16560098 0.75 RARB (0.45) 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 1 patent. 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