SCHEMBL7480462

SCHEMBL7480462

COC(=O)c1ccc2nc(CCc3nc4cc(C(=N)N)ccc4[nH]3)n(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.44
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
F9 P00740 1/20 0.42
TPSAB1 Q15661 3/20 0.42
F2 P00734 3/20 0.42
PRSS1 P07477 2/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
F7 P08709 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KLK1 P06870 1/20 0.39
KLK5 Q9Y337 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL7477294 0.90 APEX1 (0.44) F10F9TPSAB1F2PRSS1
SCHEMBL7485743 0.87 F10 (0.52) F10MAPTGAAPKMF9
SCHEMBL7476301 0.83 KLK1 (0.53) F10MAPTGAATPSAB1F2
SCHEMBL7476975 0.83 F2 (0.50) F10TPSAB1F2PRSS1PLG
SCHEMBL7408823 0.76 F10 (0.59) F10TPSAB1F2PRSS1PLG
SCHEMBL548419 0.76 F10 (0.63) F10TPSAB1F2PRSS1PLG
SCHEMBL25089560 0.75 CNR2 (0.49) MAPTGAAALOX15
SCHEMBL7402998 0.74 F10 (0.58) F10TPSAB1F2PRSS1PLG
SCHEMBL15294555 0.74 SMN1; SMN2 (0.53) MAPTGAAPKMMAPK1SMN1; SMN2
SCHEMBL7478562 0.74 F10 (0.55) F10F9TPSAB1F2PRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999026933-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO claimed
WO-1999026933-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed