SCHEMBL9500151

SCHEMBL9500151

CNc1c(N)cc(C)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
ALDH1A1 P00352 5/20 0.49
CYP3A4 P08684 4/20 0.49
TDP1 Q9NUW8 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GPR35 Q9HC97 1/20 0.48
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
KAT2B Q92831 2/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GALR2 O43603 1/20 0.40
LMNA P02545 1/20 0.40
GRIN2D O15399 1/20 0.39

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
SCHEMBL9501864 0.87 GPR35 (0.57) TSHRALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL19737438 0.81 ALDH1A1 (0.55) TSHRALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL259813 0.81 TSHR (0.60) TSHRALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL15426478 0.79 ALDH1A1 (0.49) TSHRALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL15868319 0.79 ALDH1A1 (0.49) TSHRALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL19737473 0.79 ALDH1A1 (0.49) TSHRALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL9500137 0.78 MAPT (0.56) TSHRALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL7786697 0.77 TSHR (0.60) TSHRALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL9382146 0.77 LMNA (0.55) TSHRALDH1A1MAPTMAPK1GAA
SCHEMBL9498179 0.77 MAPT (0.81) TSHRALDH1A1CYP3A4TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5186717-A Colorfastness, hair dyes L'OREAL (FR) 1993-02-16 US disclosed