SCHEMBL9820264

SCHEMBL9820264

CC(O)Cc1cccc([N+](=O)[O-])c1N

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
GPR35 Q9HC97 1/20 0.42
MAPT P10636 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
FBP1 P09467 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 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
SCHEMBL9459074 0.83 ALDH1A1 (0.55) TSHRALDH1A1POLBCYP2C19MEN1
SCHEMBL6359410 0.83 ALDH1A1 (0.55) TSHRALDH1A1POLBCYP2C19MEN1
SCHEMBL9459079 0.83 ALDH1A1 (0.55) TSHRALDH1A1POLBCYP2C19MEN1
SCHEMBL2416170 0.80 TDP1 (0.50) TDP1GPR35MAPTTSHRALDH1A1
SCHEMBL1645029 0.78 ALDH1A1 (0.52) TDP1GPR35MAPTTSHRALDH1A1
SCHEMBL9113733 0.78 MAPT (0.44) TDP1MAPTTSHRALDH1A1POLB
SCHEMBL21685749 0.78 ALDH1A1 (0.41) TDP1GPR35MAPTTSHRALDH1A1
SCHEMBL6278459 0.78 ALDH1A1 (0.50) TDP1GPR35MAPTTSHRALDH1A1
SCHEMBL10581369 0.77 HTT (0.51) TDP1GPR35MAPTALDH1A1POLB
SCHEMBL4373852 0.76 TDP1 (0.46) TDP1GPR35MAPTTSHRALDH1A1

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
EP-0303826-B1 SUBSTITUTED 2-NITRO METAPHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING KERATINOUS FIBRES AND ESPECIALLY HUMAN HAIR L'OREAL (FR) 1991-02-27 EP claimed