SCHEMBL6850708

SCHEMBL6850708

Cc1ccnc(-c2ccc(/C(F)=C/CO)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
MAPT P10636 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
MAP4K4 O95819 1/20 0.35
POLB P06746 2/20 0.35
TRPV3 Q8NET8 7/20 0.34
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PRNP P04156 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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 1.00 MEN1 (0.38) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL27612958 0.84 KMT2A (0.41) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6869730 0.81 ADRB2 (0.43) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6877431 0.81 ADRB2 (0.43) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6869726 0.81 ADRB2 (0.43) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6876968 0.75 MEN1 (0.37) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6876973 0.75 MEN1 (0.37) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6876971 0.75 MEN1 (0.37) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL27594296 0.73 MEN1 (0.40) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL27594298 0.73 KMT2A (0.40) MEN1KMT2AMAPTNPC1RAB9A

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