SCHEMBL7367804

SCHEMBL7367804

N=C(N)c1ccc2[nH]c(CC(=O)c3ccc(-c4cccc(N)c4)cc3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F7 P08709 4/20 0.46
F3 P13726 2/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
F10 P00742 5/20 0.45
F2 P00734 4/20 0.45
PRSS1 P07477 4/20 0.44
TPSAB1 Q15661 3/20 0.44
PLG P00747 3/20 0.44
PLAU P00749 3/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7366854 0.92 F10 (0.55) F7F3F10F2PRSS1
SCHEMBL8029320 0.90 RAB9A (0.53) F7RAB9ANPC1ALDH1A1MAPT
SCHEMBL7398843 0.82 F10 (0.53) F7F3F10F2PRSS1
SCHEMBL7361502 0.81 F10 (0.61) F7RAB9ANPC1ALDH1A1MAPT
SCHEMBL7407065 0.77 F10 (0.56) F7F10F2PRSS1TPSAB1
SCHEMBL8031089 0.76 F10 (0.65) F7F10F2PRSS1TPSAB1
Hydrochloric Acid SCHEMBL7409025 0.76 TPSAB1 (0.57) F7F10F2PRSS1TPSAB1
SCHEMBL7361483 0.74 F10 (0.57) F7F10F2PRSS1TPSAB1
SCHEMBL548419 0.73 F10 (0.63) F7F10F2PRSS1TPSAB1
SCHEMBL65730 0.73 F10 (0.77) F7F10F2PRSS1TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0960102-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN Du Pont Pharmaceuticals Company (US) 1999-12-01 EP claimed
WO-1998001428-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-15 WO claimed
US-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed
US-5886191-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-23 US disclosed