SCHEMBL8917458

SCHEMBL8917458

CN(C)c1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ALDH1A1 P00352 5/20 0.44
TSHR P16473 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL28261011 0.86 TSHR (0.41) MAPTALDH1A1TSHRTDP1GRIN2D
SCHEMBL670917 0.80 TSHR (0.58) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL28113776 0.79 ALDH1A1 (0.67) MAPTALDH1A1TSHRTDP1CA12
SCHEMBL21543104 0.78 MAPT (0.44) MAPTALDH1A1TSHRTDP1CA12
SCHEMBL27363125 0.78 MAPT (0.44) MAPTALDH1A1TSHRTDP1CA12
SCHEMBL30870615 0.78 MAPT (0.44) MAPTALDH1A1TSHRTDP1CA12
SCHEMBL10193193 0.76 TDP1 (0.50) MAPTALDH1A1TSHRTDP1CA12
SCHEMBL541489 0.75 TDP1 (0.72) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL11569768 0.75 TSHR (0.43) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL6786619 0.74 TDP1 (0.48) MAPTALDH1A1TSHRTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5668136-A ANTIARTERIOSCLEROTIC AGENT, CHOLESTEROL O-ACYLTRANSFERASE INHIBITOR EISAI CO., LTD. (JP) 1997-09-16 US disclosed
EP-0477778-B1 Benzene, pyridine and pyrimidine derivative EISAI CO LTD (JP) 1996-04-24 EP disclosed
EP-0615970-A1 Benzene, pyridine and pyrimidine derivative Eisai Co., Ltd. (JP) 1994-09-21 EP disclosed
EP-0477778-A2 Benzene, pyridine and pyrimidine derivative Eisai Co., Ltd. (JP) 1992-04-01 EP disclosed