SCHEMBL8215786

SCHEMBL8215786

CN(C)c1ccccc1.Cc1ccc([N+](=O)[O-])c(N)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
MAPT P10636 4/20 0.50
CYP3A4 P08684 2/20 0.49
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SIRT6 Q8N6T7 1/20 0.40
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
PLG P00747 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RECQL P46063 1/20 0.38
KAT2B Q92831 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL31365116 0.84 TSHR (0.71) TSHRMAPTCYP3A4MAPK1TDP1
SCHEMBL138990 0.84 TSHR (0.71) TSHRMAPTCYP3A4MAPK1TDP1
SCHEMBL8215933 0.84 MAPT (0.51) TSHRMAPTCYP3A4MAPK1TDP1
Hydrazine SCHEMBL28276045 0.82 TSHR (0.69) TSHRMAPTCYP3A4MAPK1TDP1
SCHEMBL30443281 0.79 MAPT (0.66) TSHRMAPTCYP3A4MAPK1TDP1
SCHEMBL719267 0.79 MAPT (0.66) TSHRMAPTCYP3A4MAPK1TDP1
SCHEMBL11595175 0.78 TSHR (0.86) TSHRMAPTCYP3A4TDP1ALDH1A1
SCHEMBL18138720 0.76 MEN1 (0.55) TSHRMAPTCYP3A4MAPK1TDP1
SCHEMBL8217216 0.74 TSHR (0.53) TSHRMAPTCYP3A4MAPK1TDP1
SCHEMBL30166999 0.73 MAPT (0.52) TSHRMAPTMAPK1TDP1ALDH1A1

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
EP-1019720-A1 COMBINATORIAL PROCESS FOR PREPARING TETRAHYDROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1998027427-A1 COMBINATORIAL PROCESS FOR PREPARING TETRAHYDROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-06-25 WO disclosed