SCHEMBL7656586

SCHEMBL7656586

NC(=NC(=O)OCc1ccccc1)c1ccc(NCc2ccccc2-c2ccccc2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
EGFR P00533 3/20 0.45
KCNA5 P22460 5/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 2/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
HIF1A Q16665 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNA3 P22001 1/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 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
SCHEMBL7655865 0.90 HSP90AA1 (0.47) HSP90AA1EGFRALDH1A1KMT2AMEN1
SCHEMBL7665681 0.89 HSP90AA1 (0.44) HSP90AA1EGFRKCNA5ALDH1A1KMT2A
SCHEMBL7656373 0.85 F7 (0.42) HSP90AA1EGFRKCNA5KMT2AMEN1
SCHEMBL7651357 0.85 F3 (0.47) HSP90AA1KCNA5
SCHEMBL7663442 0.81 F3 (0.46) HSP90AA1KCNA5
SCHEMBL7663254 0.80 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1GAARAB9A
SCHEMBL7658219 0.77 F3 (0.49) HSP90AA1CA1CA2
SCHEMBL7367834 0.75 RAB9A (0.46) ALDH1A1KMT2ATDP1GAARAB9A
SCHEMBL6654456 0.73 NR4A1 (0.51) ALDH1A1KMT2AMEN1TDP1LMNA
SCHEMBL7399817 0.72 RAB9A (0.49) ALDH1A1KMT2ATDP1GAARAB9A

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