SCHEMBL8215933

SCHEMBL8215933

CN(C)c1ccccc1.Cc1cc(N)c([N+](=O)[O-])cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
TSHR P16473 3/20 0.46
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.43
CYP3A4 P08684 3/20 0.42
RECQL P46063 1/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
S1PR4 O95977 1/20 0.41
TDP1 Q9NUW8 5/20 0.41
ALOX15 P16050 1/20 0.41
PLG P00747 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL8215786 0.84 TSHR (0.53) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL348272 0.82 TSHR (0.59) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL25932256 0.75 TDP1 (0.51) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL5951526 0.75 TDP1 (0.51) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL11219818 0.74 TSHR (0.59) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL30578459 0.74 TSHR (0.59) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL31327401 0.74 MAPT (0.61) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL30443281 0.74 MAPT (0.66) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL976044 0.74 MAPT (0.61) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL719267 0.74 MAPT (0.66) MAPTTSHRALDH1A1MEN1KMT2A

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