SCHEMBL7922516

SCHEMBL7922516

O=C(C=Cc1ccccc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.64
KMT2A Q03164 4/20 0.63
MEN1 O00255 2/20 0.61
MAOB P27338 5/20 0.60
BCHE P06276 1/20 0.60
MAOA P21397 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 3/20 0.50
HSP90AA1 P07900 1/20 0.49
NR2F2 P24468 1/20 0.49
ADAM17 P78536 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL6908275 1.00 CYP1B1 (0.64) CYP1B1KMT2AMEN1MAOBBCHE
SCHEMBL10744603 0.97 KMT2A (0.64) CYP1B1KMT2AMEN1MAOBBCHE
SCHEMBL10744598 0.97 KMT2A (0.64) CYP1B1KMT2AMEN1MAOBBCHE
SCHEMBL6915908 0.94 MAOB (0.64) CYP1B1KMT2AMEN1MAOBBCHE
SCHEMBL11432402 0.94 MAOB (0.64) CYP1B1KMT2AMEN1MAOBBCHE
SCHEMBL15367534 0.92 MAOB (0.61) CYP1B1KMT2AMEN1MAOBBCHE
SCHEMBL17355377 0.92 MAOB (0.61) CYP1B1KMT2AMEN1MAOBBCHE
SCHEMBL5315888 0.92 MAOB (0.61) CYP1B1KMT2AMEN1MAOBBCHE
SCHEMBL9523424 0.92 MAOB (0.61) CYP1B1KMT2AMEN1MAOBBCHE
SCHEMBL9523652 0.90 CYP1B1 (0.56) CYP1B1KMT2AMEN1MAOBBCHE

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
JP-59216138-A None JP disclosed
US-6229020-B1 REACTING N-SUCCINIMIDYL AND P-NITROPHENYL CINNAMATE DERIVATIVES WITH PHYSIOLOGICALLY ACTIVE SUBSTANCE SUCH AS AN AMINO ACID; PROTECTING AMINO OR HYDROXY GROUPS FOR ANALYSIS OF BIOLOGICAL REACTIONS BY IRRADIATION WITH LIGHT LABORATORY OF MOLECULAR BIOPHOTONICS (JP) 2001-05-08 US disclosed
JP-S59216138-A SELF-SENSITIZING PHOTOSENSITIVE RESIN RES DEV CORP OF JAPAN 1984-12-06 JP disclosed