SCHEMBL11825503

SCHEMBL11825503

CN(C)CCn1c2ccc(Cl)cc2c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.55
▸ RXFP1 Q9HBX9 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ POLB P06746 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.43
▸ SMARCA2 P51531 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CDK2 P24941 1/20 0.41
▸ CYP1A2 P05177 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
SCHEMBL11828899 0.93 MAPT (0.49) MAPTRXFP1HTTPOLBATM
SCHEMBL11833660 0.86 MAPT (0.70) MAPTRXFP1HTTPOLBATM
SCHEMBL12608625 0.84 MAPT (0.56) MAPTRXFP1HTTPOLBATM
SCHEMBL6608471 0.81 MAPT (0.62) MAPTRXFP1HTTPOLBATM
SCHEMBL14548911 0.80 MAPT (0.57) MAPTRXFP1HTTPOLBATM
SCHEMBL12608632 0.79 MAPT (0.63) MAPTRXFP1HTTPOLBATM
SCHEMBL11830811 0.79 MAPT (0.67) MAPTRXFP1HTTPOLBATM
SCHEMBL12608697 0.79 MAPT (0.50) MAPTRXFP1HTTPOLBATM
SCHEMBL11822106 0.78 MAPT (0.50) MAPTRXFP1HTT
SCHEMBL11832005 0.77 KDM4E (0.44) MAPTHTTMEN1KMT2AALDH1A1

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-3988208-A FOR GLUCOSE BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-10-26 — — US disclosed
US-3975398-A INDICATOR FOR DETERMINATION OF GLUCOSE BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-08-17 — — US disclosed
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