SCHEMBL7789534

SCHEMBL7789534

[N-]=[N+]=C(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 13/20 0.56
CES1 P23141 13/20 0.56
TSHR P16473 2/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 3/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
PARP1 P09874 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL993397 0.84 CES1 (0.46) CES2CES1TSHRDAONAPRT
SCHEMBL9091946 0.80 CYP2C19 (0.50) CES2CES1TSHRDAONAPRT
SCHEMBL5682300 0.80 CES1 (0.52) CES2CES1TSHRDAONAPRT
SCHEMBL6706169 0.79 CES2 (0.59) CES2CES1TSHRDAONAPRT
Benzil SCHEMBL1634137 0.77 CES2 (0.93) CES2CES1TSHRDAONAPRT
SCHEMBL27465339 0.76 CES2 (0.54) CES2CES1TSHRDAONAPRT
SCHEMBL19439372 0.76 CES2 (0.58) CES2CES1TSHRDAONAPRT
SCHEMBL7786583 0.76 CES2 (0.54) CES2CES1TSHRDAONAPRT
SCHEMBL545737 0.75 TSHR (0.50) CES2CES1TSHRDAONAPRT
SCHEMBL19453192 0.75 TSHR (0.41) CES2CES1TSHRDAONAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799716-B1 Diazo compounds for laser-induced mass transfer imaging materials MINNESOTA MINING & MFG (US) 2001-11-07 EP disclosed
US-5756689-A SENSITIZERS; COMPOUNDS STABILIZED BY CERTAIN FUNCTIONAL GROUPS ADJACENT TO THE DIAZO SUBSTITUENT MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-05-26 US disclosed
US-5691098-A WITH STABILIZING ELECTRON WITHDRAWING GROUP MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-11-25 US disclosed
EP-0799716-A2 Diazo compounds for laser-induced mass transfer imaging materials MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-08 EP disclosed
EP-0085031-B1 METHOD FOR THE PREPARATION OF SYMMETRICAL MONOACETALS OF AROMATIC 1,2-DIKETONES STARTING FROM THE CORRESPONDING ALPHAHYDROXYKETONES FRATELLI LAMBERTI S.p.A. (IT) 1986-06-25 EP disclosed
EP-0085031-A2 Method for the preparation of symmetrical monoacetals of aromatic 1,2-diketones starting from the corresponding alphahydroxyketones FRATELLI LAMBERTI S.p.A. (IT) 1983-08-03 EP disclosed