SCHEMBL9498095

SCHEMBL9498095

Cc1ccc(S(=O)(=O)Nc2cc(C)cc([N+](=O)[O-])c2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 3/20 0.52
POLB P06746 2/20 0.51
PKM P14618 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
FFAR4 Q5NUL3 1/20 0.49
CRHBP P24387 3/20 0.48
CRHR2 Q13324 3/20 0.48
HSP90AA1 P07900 2/20 0.48
APP P05067 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NOD2 Q9HC29 1/20 0.47

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
SCHEMBL1819446 0.83 MAPT (0.54) MAPTTDP1ALDH1A1POLBPKM
SCHEMBL2367787 0.82 MAPT (0.61) MAPTTDP1ALDH1A1POLBPKM
SCHEMBL27829690 0.81 FFAR4 (0.65) MAPTALDH1A1POLBCA1CA2
SCHEMBL14877793 0.81 MAPT (0.67) MAPTTDP1ALDH1A1POLBPKM
SCHEMBL11876774 0.81 MAPT (0.56) MAPTTDP1ALDH1A1POLBPKM
SCHEMBL6151145 0.80 ALDH1A1 (0.55) MAPTTDP1ALDH1A1POLBPKM
SCHEMBL5956136 0.77 MAPT (0.51) MAPTTDP1ALDH1A1POLBPKM
SCHEMBL2004978 0.77 MAPT (0.67) MAPTTDP1ALDH1A1POLBPKM
SCHEMBL11056165 0.76 MAPT (0.50) MAPTTDP1ALDH1A1POLBPKM
SCHEMBL2006238 0.76 MAPT (0.72) MAPTTDP1ALDH1A1POLBPKM

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