SCHEMBL7665681

SCHEMBL7665681

COc1ccc(-c2ccccc2C(=O)OCc2ccccc2)c(CNc2ccc(C(N)=NC(=O)OCc3ccccc3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
EGFR P00533 1/20 0.42
HIF1A Q16665 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
F2 P00734 2/20 0.39
F10 P00742 2/20 0.39
PRSS1 P07477 2/20 0.39
F7 P08709 2/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL7656586 0.89 HSP90AA1 (0.48) HSP90AA1CA1CA2EGFRHIF1A
SCHEMBL7655865 0.88 HSP90AA1 (0.47) HSP90AA1CA1CA2EGFRSMN1; SMN2
SCHEMBL7658219 0.88 F3 (0.49) HSP90AA1CA1CA2F2F10
SCHEMBL7656373 0.80 F7 (0.42) HSP90AA1EGFRMEN1KMT2AF2
SCHEMBL7651357 0.80 F3 (0.47) HSP90AA1F2F10PRSS1F7
SCHEMBL7663442 0.77 F3 (0.46) HSP90AA1F2F10PRSS1F7
SCHEMBL7661956 0.77 L3MBTL1 (0.42) SMN1; SMN2L3MBTL1MEN1KMT2ARAB9A
SCHEMBL7659263 0.76 CA1 (0.54) CA1CA2HIF1AF2F10
SCHEMBL7663254 0.75 ALDH1A1 (0.47) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL7651288 0.74 F3 (0.48) F2F10PRSS1F7

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