SCHEMBL6876971

SCHEMBL6876971

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.37
KMT2A Q03164 7/20 0.37
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
TRPV3 Q8NET8 11/20 0.34
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32
PRNP P04156 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL6876973 1.00 MEN1 (0.37) MEN1KMT2ANPC1RAB9AATM
SCHEMBL6876968 1.00 MEN1 (0.37) MEN1KMT2ANPC1RAB9AATM
SCHEMBL27594296 0.84 MEN1 (0.40) MEN1KMT2ANPC1RAB9AATM
SCHEMBL6852736 0.82 KMT2A (0.38) MEN1KMT2ANPC1RAB9AATM
SCHEMBL6875888 0.82 KMT2A (0.38) MEN1KMT2ANPC1RAB9AATM
SCHEMBL6852733 0.82 KMT2A (0.38) MEN1KMT2ANPC1RAB9AATM
SCHEMBL6276439 0.82 ADRB2 (0.42) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6879073 0.82 ADRB2 (0.42) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6309957 0.82 ADRB2 (0.42) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6850708 0.75 MEN1 (0.38) MEN1KMT2ANPC1RAB9AATM

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
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed