SCHEMBL11059638

SCHEMBL11059638

CC(C)c1cc(N)c([N+](=O)[O-])cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
TSHR P16473 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 1/20 0.46
MCL1 Q07820 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.44
PDK1 Q15118 1/20 0.41
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 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
SCHEMBL20357958 0.84 TDP1 (0.42) MAPTTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL4095052 0.84 MAPT (0.49) MAPTTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL5953091 0.81 TSHR (0.49) MAPTTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL2467874 0.81 MAPT (0.49) MAPTTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL19511923 0.81 MAPT (0.62) MAPTTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL3243151 0.79 MAPT (0.60) MAPTTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL6296310 0.77 MAPT (0.40) MAPTTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL10937606 0.77 PDK1 (0.50) MAPTTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL9378154 0.77 MAPT (0.58) MAPTTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL596168 0.76 MAPT (0.62) MAPTTSHRCYP1A2CYP2C9CYP2C19

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-4470826-A HAIR DYES, NITRO DYES, DIRECT DYES L'OREAL (FR) 1984-09-11 US disclosed