SCHEMBL28277948

SCHEMBL28277948

O=[N+]([O-])c1ccc(S(=O)(=O)O)c(Cc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2D6 P10635 1/20 0.55
MAPK1 P28482 1/20 0.55
HIF1A Q16665 1/20 0.55
CYP19A1 P11511 2/20 0.48
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
RIPK1 Q13546 1/20 0.45
HTT P42858 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
NT5E P21589 1/20 0.44
MAPT P10636 4/20 0.43

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
SCHEMBL19332865 0.85 CYP1A2 (0.55) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL29176787 0.84 NT5E (0.50) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL28299042 0.84 CA12 (0.47) ALDH1A1CYP1A2CYP2C19HTTMEN1
SCHEMBL1607271 0.82 ACHE (0.46) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL6553330 0.82 ACHE (0.46) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL1412682 0.80 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL17737206 0.79 CYP19A1 (0.50) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9
Diphenylmethane SCHEMBL9099577 0.78 CA2 (0.54) ALDH1A1CYP1A2CYP2C19CYP19A1HTT
SCHEMBL11776775 0.78 CYP19A1 (0.49) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL1275610 0.78 CYP1A2 (0.56) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9

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
CN-109427659-A Semiconductor devices and manufacturing method 台湾积体电路制造股份有限公司 2019-03-05 CN disclosed