SCHEMBL7473558

SCHEMBL7473558

CCOC(=O)c1ccc(Cc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 6/20 0.55
MAPT P10636 4/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
PKM P14618 1/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
POLB P06746 2/20 0.54
LMNA P02545 1/20 0.54
KDM4E B2RXH2 1/20 0.54
PTGER4 P35408 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.49
MAPK1 P28482 1/20 0.47
THRB P10828 1/20 0.47
PDK1 Q15118 1/20 0.46
MITF O75030 1/20 0.46

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
SCHEMBL1304734 0.83 KMT2A (0.60) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL4002932 0.82 ALDH1A1 (0.55) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3127542 0.82 KMT2A (0.61) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL4262486 0.82 KMT2A (0.61) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL28066675 0.81 KMT2A (0.57) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL6704626 0.81 KMT2A (0.60) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL7052691 0.81 LMNA (0.64) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL310490 0.81 KMT2A (0.60) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3841850 0.81 KMT2A (0.63) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL5299658 0.81 ABCB1 (0.55) KMT2AALDH1A1MAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636622-B1 Isoxazole derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-23 EP disclosed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP disclosed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed