SCHEMBL28070463

SCHEMBL28070463

O=C(O)c1cnn(-c2ccc(F)cc2)n1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
ADAMTS7 Q9UKP4 1/20 0.44
ATM Q13315 1/20 0.43
PPP1CA P62136 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
NCOR1 O75376 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CTSL P07711 2/20 0.39
KDM4E B2RXH2 1/20 0.38
P4HTM Q9NXG6 3/20 0.38
MAPK14 Q16539 1/20 0.38
ELOVL1 Q9BW60 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL2327827 0.98 KMT2A (0.47) KMT2AMEN1ADAMTS7ATMPPP1CA
SCHEMBL29874448 0.84 GABRA2 (0.50) KMT2AMEN1ADAMTS7KDM4ENPC1
SCHEMBL23367502 0.83 ADAMTS7 (0.44) KMT2AMEN1ADAMTS7HDAC1HDAC3
SCHEMBL23367526 0.83 ADAMTS7 (0.44) KMT2AMEN1ADAMTS7HDAC1HDAC3
SCHEMBL23367219 0.83 RPA1 (0.40) ADAMTS7HDAC1NPC1RAB9AP2RX7
SCHEMBL1752087 0.82 P2RX7 (0.53) KMT2AMEN1ADAMTS7HDAC1KDM4E
SCHEMBL28090831 0.81 MAPK14 (0.52) KMT2AMEN1ADAMTS7HDAC1KDM4E
SCHEMBL23354766 0.81 ALDH1A1 (0.46) HDAC1KDM4ENPC1RAB9AP2RX7
SCHEMBL18910106 0.81 HDAC1 (0.39) KMT2AMEN1ADAMTS7HDAC1KDM4E
SCHEMBL15577164 0.81 RPA1 (0.49) KMT2AMEN1ADAMTS7ATMPPP1CA

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-102985439-B IAP BIR domain binding compounds 制药科学股份有限公司 2016-06-15 CN disclosed