SCHEMBL13614816

SCHEMBL13614816

CCCNC(=O)c1ccc2nccnc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.63
NPC1 O15118 6/20 0.63
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
HPGD P15428 2/20 0.62
PKM P14618 1/20 0.62
ALDH1A1 P00352 4/20 0.59
GAA P10253 2/20 0.59
KDM4E B2RXH2 2/20 0.59
L3MBTL1 Q9Y468 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ATM Q13315 1/20 0.55
AHR P35869 1/20 0.53
TP53 P04637 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
POLB P06746 2/20 0.50
ESR2 Q92731 1/20 0.50

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
SCHEMBL13614180 0.87 MEN1 (0.66) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL21642492 0.84 MEN1 (0.62) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL17941874 0.82 EGLN1 (0.62) MEN1KMT2AHPGDALDH1A1GAA
SCHEMBL7693830 0.80 NPC1 (0.52) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL1644905 0.80 MEN1 (0.61) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL6257044 0.78 PLK1 (0.66) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL1483703 0.78 KMT2A (0.62) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL30147578 0.78 PLK1 (0.66) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL9792819 0.78 KDM4E (0.64) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL13918749 0.77 KDM4E (0.70) RAB9ANPC1KMT2AALDH1A1KDM4E

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
EP-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 EP disclosed