SCHEMBL7653556

SCHEMBL7653556

O=C(OCc1ccccc1)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.44
PDE1C Q14123 1/20 0.44
POLB P06746 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
CYP19A1 P11511 4/20 0.43
NPC1 O15118 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
SCHEMBL20581857 0.83 KMT2A (0.58) RAB9ALMNAPDE1CPOLBITGA4
SCHEMBL6536499 0.82 ALDH1A1 (0.48) RAB9ALMNAPOLBMAPTKMT2A
SCHEMBL6647431 0.82 TDP1 (0.47) RAB9ALMNAPOLBMAPTKMT2A
SCHEMBL6686530 0.82 POLB (0.45) LMNAPOLBMAPTKMT2AMEN1
SCHEMBL6536275 0.81 TDP1 (0.46) RAB9ALMNAPOLBMAPTKMT2A
SCHEMBL7663538 0.81 TDP1 (0.46) RAB9APOLBMAPTKMT2ATDP1
SCHEMBL17202449 0.81 RAB9A (0.47) RAB9ALMNAPDE1CPOLBITGA4
SCHEMBL31656228 0.81 RAB9A (0.54) RAB9ALMNAPDE1CPOLBITGA4
SCHEMBL27137411 0.81 RAB9A (0.54) RAB9ALMNAPDE1CPOLBITGA4
SCHEMBL15754683 0.81 RAB9A (0.54) RAB9ALMNAPDE1CPOLBITGA4

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
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