SCHEMBL7384346

SCHEMBL7384346

CCOC(=O)C(Oc1ccc(NC(=O)c2cccc(NC(=N)N)c2)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
NPC1 O15118 5/20 0.56
MEN1 O00255 4/20 0.56
PLAU P00749 3/20 0.46
NR1H4 Q96RI1 2/20 0.46
PRSS1 P07477 2/20 0.45
F10 P00742 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
RAB9A P51151 4/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAT P00750 1/20 0.44
KLKB1 P03952 1/20 0.44
MITF O75030 1/20 0.43
PAX8 Q06710 1/20 0.43

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
SCHEMBL7373470 0.88 KMT2A (0.51) KMT2ANPC1MEN1PLAUNR1H4
SCHEMBL2841272 0.81 ITGB3 (0.53) KMT2ANPC1MEN1PLAUNR1H4
SCHEMBL7376667 0.80 ITGB3 (0.52) KMT2ANPC1MEN1PLAUNR1H4
SCHEMBL7377730 0.79 KMT2A (0.53) KMT2ANPC1MEN1PLAUNR1H4
SCHEMBL7380048 0.78 NPC1 (0.53) KMT2ANPC1MEN1F10SMN1; SMN2
SCHEMBL7380047 0.78 NPC1 (0.53) KMT2ANPC1MEN1F10SMN1; SMN2
SCHEMBL7455765 0.76 ITGB3 (0.58) KMT2ANPC1MEN1PLAUNR1H4
SCHEMBL7380664 0.76 ITGB3 (0.57) KMT2ANPC1MEN1PLAUF10
SCHEMBL7380660 0.76 ITGB3 (0.57) KMT2ANPC1MEN1PLAUF10
SCHEMBL7455753 0.75 ITGB3 (0.55) KMT2ANPC1MEN1PLAUSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891325-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 EP disclosed
EP-1157985-A1 Para- substituted phenylene derivatives and their use as integrin antagonists G.D. SEARLE & CO. (US) 2001-11-28 EP disclosed
US-6251944-B1 (VITRONECTIN RECEPTOR) INTEGRIN ANTAGONIST, USEFUL FOR TREATING ANGIOGENESIS, TUMOR GROWTH, TUMOR METASTASIS, OSTEOPOROSIS AND HUMORAL HYPERCALCEMIA OF MALIGNANCY G. D. SEARLE & COMPANY 2001-06-26 US disclosed
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP disclosed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed