SCHEMBL27612958

SCHEMBL27612958

C/C=C(\F)c1ccc(-c2nccc(C)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
NPC1 O15118 5/20 0.38
RAB9A P51151 2/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PRNP P04156 1/20 0.36
GAA P10253 1/20 0.36
MAP4K4 O95819 1/20 0.35
TRPV3 Q8NET8 3/20 0.35
CYP3A4 P08684 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC6A7 Q99884 1/20 0.34
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TGFBR1 P36897 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
SCHEMBL6850714 0.84 MEN1 (0.38) KMT2AMEN1NPC1RAB9AATM
SCHEMBL6850708 0.84 MEN1 (0.38) KMT2AMEN1NPC1RAB9AATM
SCHEMBL27594296 0.78 MEN1 (0.40) KMT2AMEN1NPC1RAB9AATM
SCHEMBL8363956 0.77 KMT2A (0.56) KMT2AMEN1NPC1RAB9AATM
SCHEMBL30957376 0.77 MEN1 (0.66) KMT2AMEN1NPC1RAB9AATM
SCHEMBL2666244 0.76 MEN1 (0.59) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL8365593 0.76 MEN1 (0.47) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL20339735 0.76 RXRA (0.46) KMT2AMEN1RAB9APOLBKDM4E
SCHEMBL7032910 0.74 MEN1 (0.44) KMT2AMEN1NPC1RAB9AATM
SCHEMBL7104926 0.74 ALDH5A1 (0.44) KMT2AMEN1NPC1MAPTPOLB

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