SCHEMBL7412739

SCHEMBL7412739

N=C(NO)c1cc2nc(-c3ccccn3)[nH]c2cc1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 13/20 0.68
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
PKM P14618 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 3/20 0.56
KDM4E B2RXH2 3/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 1/20 0.56
METAP2 P50579 6/20 0.56
METAP1 P53582 5/20 0.56
F2 P00734 1/20 0.54
F10 P00742 1/20 0.54
F7 P08709 1/20 0.54
HPGD P15428 3/20 0.50
TP53 P04637 2/20 0.50
MTOR P42345 1/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 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
Trifluoroacetic Acid SCHEMBL7403958 0.92 CBFB (0.58) CBFBNPC1RAB9APKMSMN1; SMN2
SCHEMBL7405021 0.87 CBFB (0.70) CBFBNPC1RAB9APKMSMN1; SMN2
SCHEMBL124228 0.82 CBFB (1.00) CBFBNPC1RAB9APKMSMN1; SMN2
SCHEMBL7402924 0.81 F2 (0.59) CBFBNPC1RAB9APKMSMN1; SMN2
SCHEMBL7412741 0.80 CBFB (0.67) CBFBNPC1RAB9APKMSMN1; SMN2
SCHEMBL25145069 0.77 CBFB (0.79) CBFBNPC1RAB9APKMSMN1; SMN2
SCHEMBL13866537 0.76 NPC1 (0.81) CBFBNPC1RAB9APKMSMN1; SMN2
SCHEMBL4815533 0.75 CBFB (0.84) CBFBNPC1RAB9APKMSMN1; SMN2
SCHEMBL13223456 0.73 NPC1 (1.00) CBFBNPC1RAB9APKMSMN1; SMN2
SCHEMBL7405941 0.73 CBFB (0.56) CBFBNPC1RAB9APKMSMN1; SMN2

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
WO-1999026941-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed