SCHEMBL7655865

SCHEMBL7655865

NC(=NC(=O)OCc1ccccc1)c1ccc(NCc2cc3ccccc3cc2-c2ccccc2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
EGFR P00533 8/20 0.44
ALDH1A1 P00352 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
F7 P08709 1/20 0.35
SYK P43405 2/20 0.35
MEN1 O00255 1/20 0.35

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 0.90 HSP90AA1 (0.48) HSP90AA1EGFRALDH1A1CA1CA2
SCHEMBL7665681 0.88 HSP90AA1 (0.44) HSP90AA1EGFRALDH1A1CA1CA2
SCHEMBL7651288 0.82 F3 (0.48) F2F10PRSS1F7
SCHEMBL7656373 0.80 F7 (0.42) HSP90AA1EGFRKMT2AF2F10
SCHEMBL7651357 0.78 F3 (0.47) HSP90AA1F2F10PRSS1F7
SCHEMBL7658219 0.77 F3 (0.49) HSP90AA1CA1CA2F2F10
SCHEMBL7663254 0.76 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1LMNAMAPT
SCHEMBL7663442 0.74 F3 (0.46) HSP90AA1F2F10PRSS1F7
SCHEMBL7665961 0.72 F2 (0.47) MRGPRX1F2F10PRSS1F7
SCHEMBL7367834 0.71 RAB9A (0.46) ALDH1A1RAB9ANPC1LMNAMAPT

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 1 patent. 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