SCHEMBL7510263

SCHEMBL7510263

N=C(N)c1ccc2[nH]c(C(CCNS(=O)(=O)c3cccc4ccccc34)c3nc4ccccc4[nH]3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.43
NPY5R Q15761 5/20 0.42
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
F10 P00742 6/20 0.41
F7 P08709 2/20 0.41
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
F9 P00740 2/20 0.39
KLK1 P06870 1/20 0.38
KLK5 Q9Y337 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL7407103 0.90 SMN1; SMN2 (0.46) F2F10F7KDM4EALDH1A1
SCHEMBL7405075 0.86 F2 (0.44) F2F10F7ALDH1A1
SCHEMBL7510086 0.85 F10 (0.45) F2F10F7ALDH1A1F9
SCHEMBL7408796 0.84 F2 (0.44) F2F10F7CYP3A4CYP1A2
SCHEMBL7406764 0.80 F2 (0.37) F2F10F7ALDH1A1F9
SCHEMBL7403772 0.78 F10 (0.47) F2F10F7ALDH1A1F9
SCHEMBL7405163 0.78 F2 (0.53) F2F10F7KLK1KLK5
SCHEMBL7405066 0.77 F2 (0.48) F2F10F7F9KLK1
SCHEMBL7397941 0.75 F7 (0.50) F2F10F7ALDH1A1KLK1
SCHEMBL7401825 0.75 F10 (0.49) F2NPY5RF10F7KLK1

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-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed