SCHEMBL8339299

SCHEMBL8339299

CS(=O)(=O)Nc1ccc(Oc2ccccc2C(=N)N)nc1Oc1ccccc1C(=N)N

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.61
F2 P00734 6/20 0.47
ST14 Q9Y5Y6 4/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
MRGPRX1 Q96LB2 1/20 0.46
CCR2 P41597 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.37
KEAP1 Q14145 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 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
SCHEMBL6581312 0.76 F10 (1.00) F10F2ST14PRSS1PRSS2
SCHEMBL7408094 0.76 F10 (0.61) F10F2ST14PRSS1PRSS2
SCHEMBL7404047 0.73 F10 (0.61) F10F2ST14PRSS1PRSS2
SCHEMBL7555146 0.73 F10 (0.78) F10F2ST14PRSS1PRSS2
SCHEMBL7552030 0.71 F10 (0.63) F10F2ALDH1A1KDM4EHSD17B10
SCHEMBL7723352 0.69 LMNA (0.51) MRGPRX1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL7721608 0.69 MRGPRX1 (0.55) MRGPRX1ALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL27837570 0.67 LMNA (0.63) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL7549201 0.66 F10 (0.55) F10F2MRGPRX1CCR2ALDH1A1
SCHEMBL1457547 0.65 F10 (0.57) F10F2ST14PRSS1PRSS2

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-5883100-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1999-03-16 US disclosed