SCHEMBL9815413

SCHEMBL9815413

CC(O)c1cc(N)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
TDP1 Q9NUW8 4/20 0.55
ALDH1A1 P00352 6/20 0.51
CYP3A4 P08684 3/20 0.51
ALOX15 P16050 2/20 0.51
RECQL P46063 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 3/20 0.41
PDK1 Q15118 1/20 0.41
LMNA P02545 2/20 0.41
PDE7A Q13946 2/20 0.40
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL12919849 0.86 TSHR (0.58) TSHRTDP1ALDH1A1CYP3A4ALOX15
SCHEMBL1582827 0.81 TSHR (0.58) TSHRTDP1ALDH1A1CYP3A4HSD17B10
SCHEMBL9477771 0.81 BACE1 (0.44) TSHRALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL1890141 0.79 S100A4 (0.40) TSHRALDH1A1CYP3A4ALOX15PDK1
SCHEMBL12572189 0.79 S100A4 (0.40) TSHRALDH1A1CYP3A4ALOX15PDK1
SCHEMBL10477064 0.79 ATM (0.55) TSHRTDP1ALDH1A1CYP3A4ALOX15
SCHEMBL2148284 0.79 LOXL2 (0.43) TSHRTDP1ALDH1A1CYP3A4ALOX15
SCHEMBL5667314 0.79 TDP1 (0.58) TSHRTDP1ALDH1A1CYP3A4ALOX15
SCHEMBL2499076 0.77 MAPT (0.58) TSHRTDP1ALDH1A1CYP3A4MAPK1
SCHEMBL13498001 0.77 KAT2B (0.42) TSHRTDP1ALDH1A1CYP3A4ALOX15

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-0297607-B1 GAMMA-L-GLUTAMYL-4-NITROANILIDE DERIVATIVES AND PROCESS FOR DETERMINING GAMMA-GTP ACTIVITY USING THE SAME WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-28 EP disclosed
US-4851572-A DIAGNOSIS OF LIVER AND BILE DUCT DISORDERS, ALCOHOLISM WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
EP-0297607-A1 Gamma-L-glutamyl-4-nitroanilide derivatives and process for determining gamma-GTP activity using the same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-01-04 EP disclosed