SCHEMBL9130713

SCHEMBL9130713

CC(Oc1cccc(Oc2ccccc2[N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ RECQL P46063 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ESR2 Q92731 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ HTT P42858 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ HPSE Q9Y251 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ F10 P00742 1/20 0.44
▸ HPGD P15428 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
SCHEMBL9130524 0.89 F10 (0.51) KMT2AMEN1RECQLMAPTMAPK1
SCHEMBL9135642 0.85 KMT2A (0.55) KMT2AMEN1RECQLMAPTMAPK1
SCHEMBL7221265 0.83 KMT2A (0.58) KMT2AMEN1RECQLL3MBTL1CYP1A2
SCHEMBL10360452 0.83 L3MBTL1 (0.59) KMT2AMEN1RECQLMAPTMAPK1
SCHEMBL9132465 0.81 KMT2A (0.46) KMT2AMEN1RECQLMAPTMAPK1
SCHEMBL30668812 0.79 L3MBTL1 (0.64) KMT2AMEN1RECQLMAPTMAPK1
SCHEMBL1339905 0.79 L3MBTL1 (0.64) KMT2AMEN1RECQLMAPTMAPK1
SCHEMBL8783831 0.79 PTGS1 (0.63) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL10594864 0.79 KDM4E (0.62) KMT2AMEN1MAPTL3MBTL1SMN1; SMN2
SCHEMBL28814668 0.77 TSHR (0.53) KMT2AMEN1L3MBTL1SMN1; SMN2CYP1A2

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-5399703-A Antiallergens NIPPON SHINYAKU COMPANY, LIMITED (JP) 1995-03-21 — — US disclosed
EP-0536400-A1 TETRAZOLE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-04-14 — — EP disclosed
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