SCHEMBL7359272

SCHEMBL7359272

COC(=O)/C=C/c1cn(CC(=O)N2CCC(Cc3ccccc3)CC2)c2ccc(C#N)cc12

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.74
PRSS1 P07477 3/20 0.74
MGLL Q99685 1/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
CCR3 P51677 1/20 0.40
CREBBP Q92793 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL7359275 1.00 F2 (0.74) F2PRSS1MGLLALDH1A1LMNA
SCHEMBL7367313 0.85 F2 (1.00) F2PRSS1ALDH1A1LMNAGAA
SCHEMBL7367315 0.85 F2 (1.00) F2PRSS1ALDH1A1LMNAGAA
SCHEMBL8035205 0.82 F2 (0.62) F2PRSS1MGLLALDH1A1SMN1; SMN2
SCHEMBL8029555 0.81 F2 (0.53) F2PRSS1MGLLALDH1A1LMNA
SCHEMBL7359608 0.75 F2 (0.68) F2PRSS1MGLLALDH1A1HPGD
SCHEMBL7367336 0.73 F2 (0.61) F2MGLLALDH1A1LMNASMN1; SMN2
SCHEMBL7360128 0.73 F2 (0.69) F2PRSS1MGLLALDH1A1LMNA
SCHEMBL7363726 0.71 F2 (0.75) F2PRSS1ALDH1A1KMT2AMEN1
SCHEMBL7363721 0.71 F2 (0.75) F2PRSS1ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed
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 disclosed
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 disclosed