SCHEMBL7659362

SCHEMBL7659362

C=CCOC(=O)N=C(N)c1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX12 P18054 1/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
P4HB P07237 1/20 0.47
F3 P13726 2/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
F7 P08709 1/20 0.44
PRSS3 P35030 1/20 0.44
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
LMNA P02545 1/20 0.42
PPARG P37231 1/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.42
CHRNB2 P17787 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
SCHEMBL7662346 0.88 SMN1; SMN2 (0.50) CYP3A4MEN1KMT2ALMNATSHR
SCHEMBL7661471 0.87 CYP3A4 (0.53) CYP2C9CYP3A4ALOX12MEN1KMT2A
SCHEMBL7657150 0.84 CYP3A4 (0.49) CYP2C9CYP3A4ALOX12MEN1KMT2A
SCHEMBL7654193 0.79 SMN1; SMN2 (0.50) CYP2C9CYP3A4ALOX12MEN1KMT2A
SCHEMBL7658461 0.79 SMN1; SMN2 (0.56) MEN1KMT2ALMNATSHRPOLB
SCHEMBL7657710 0.78 CYP2C9 (0.66) CYP2C9CYP3A4ALOX12MEN1KMT2A
Hydrochloric Acid SCHEMBL7656984 0.77 CYP2C9 (0.64) CYP2C9CYP3A4ALOX12MEN1KMT2A
SCHEMBL7663254 0.76 ALDH1A1 (0.47) CYP2C9MEN1KMT2ALMNAMAPT
SCHEMBL7656002 0.76 RAB9A (0.45) MEN1KMT2AF3F2F10
SCHEMBL7661930 0.73 CYP3A4 (0.69) CYP2C9CYP3A4ALOX12MEN1KMT2A

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-1078917-A1 AMIDINO DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-02-28 EP claimed
US-6358960-B1 FOR THERAPY OF INTRAVASCULAR COAGULATION, CORONARY THROMBOSIS, CEREBRAL INFARCTION, CEREBRAL EMBOLISM, TRANSIENT ISCHEMIC ATTACK, CEREBROVASCULAR DISORDERS, PULMONARY VASCULAR DISEASES, DEEP VENOUS THROMBOSIS, ETC. ONO PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed
EP-1078917-A1 AMIDINO DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-02-28 EP disclosed