SCHEMBL7074872

SCHEMBL7074872

N=C(N)c1ccc(C(=O)N2CCN(OC(=O)NC3CCCCC3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.48
PLG P00747 2/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
ST14 Q9Y5Y6 2/20 0.48
EPHX2 P34913 8/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
BMPR1B O00238 1/20 0.42
BMPR1A P36894 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVRL1 P37023 1/20 0.42
ACVR1 Q04771 1/20 0.42

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
SCHEMBL7653179 0.84 SMN1; SMN2 (0.53) F2PLGPRSS1PRSS2PRSS3
SCHEMBL7071711 0.76 F10 (0.48) F2PLGPRSS1PRSS2PRSS3
SCHEMBL7071622 0.76 SMYD3 (0.50) EPHX2KMT2ALMNAMEN1BMPR1B
SCHEMBL7071921 0.76 KMT2A (0.68) F2PLGPRSS1PRSS2PRSS3
SCHEMBL7075127 0.75 F10 (0.47) F2PRSS1PRSS2PRSS3ST14
SCHEMBL7071743 0.74 KDM1A (0.47) KMT2AMEN1ITGB3ITGA2B
SCHEMBL7074195 0.73 HPGD (0.54) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL7076738 0.72 KDM4E (0.51) KMT2ALMNAMEN1
SCHEMBL24065200 0.72 HPGD (0.70) KMT2AMEN1ITGB3ITGA2B
Acetic Acid SCHEMBL27550421 0.72 FASN (0.64) PRSS1PRSS2PRSS3KMT2AMEN1

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
EP-1025086-B1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-06-25 EP disclosed
EP-1025086-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2000-08-09 EP disclosed
WO-1999016751-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 1999-04-08 WO disclosed