SCHEMBL9825925

SCHEMBL9825925

CN1C(=O)C(Cc2ccccc2)Oc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
MMP2 P08253 1/20 0.44
F2 P00734 5/20 0.42
F10 P00742 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CASP1 P29466 1/20 0.41
CASP3 P42574 1/20 0.41
CASP4 P49662 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
CASP6 P55212 1/20 0.41

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
SCHEMBL17434501 0.81 CASP1 (0.46) KMT2AMEN1MMP2MAPTALDH1A1
SCHEMBL9826702 0.80 F2 (0.47) F2F10LMNAMAPK1
SCHEMBL9826121 0.75 KMT2A (0.57) KMT2AMEN1MMP2L3MBTL1MAPT
SCHEMBL31444744 0.73 ATM (0.45) KMT2AMEN1F2F10MAPT
SCHEMBL17434397 0.73 KMT2A (0.67) KMT2AMEN1MMP2L3MBTL1MAPT
SCHEMBL7475333 0.72 KMT2A (0.46) KMT2AMEN1L3MBTL1NR1H2NR1H3
SCHEMBL9453682 0.72 TACR1 (0.51) MMP2MAPTALDH1A1LMNACASP1
SCHEMBL30806262 0.71 CASP1 (0.52) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL9462346 0.70 F2 (0.42) F2F10
SCHEMBL30806728 0.69 TSHR (0.51) KMT2AMEN1MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0283036-B1 BENZOXAZINE DERIVATIVES AND PROCESSES FOR PREPARATION THEREOF TANABE SEIYAKU CO., LTD. (JP) 1991-09-11 EP disclosed
US-4824833-A ANTIDIABETIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1989-04-25 US disclosed
EP-0283036-A1 Benzoxazine derivatives and processes for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1988-09-21 EP disclosed