SCHEMBL9479802

SCHEMBL9479802

O=S(=O)(Nc1cccc(Nc2ccc(Nc3ccccc3)cc2)c1)c1ccc2ccccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.69
LMNA P02545 2/20 0.69
KMT2A Q03164 5/20 0.66
MEN1 O00255 4/20 0.66
PKM P14618 1/20 0.63
PKLR P30613 1/20 0.63
PGR P06401 1/20 0.63
AKR1C3 P42330 1/20 0.63
ATM Q13315 1/20 0.62
ALDH1A1 P00352 3/20 0.62
CYP3A4 P08684 1/20 0.62
HPGD P15428 1/20 0.62
HSD17B10 Q99714 1/20 0.62
SNCA P37840 1/20 0.61
GAA P10253 2/20 0.57
HTT P42858 2/20 0.56
MAPT P10636 1/20 0.56
HTR1A P08908 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55

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
SCHEMBL9479593 0.92 PGR (0.73) SMN1; SMN2LMNAKMT2AMEN1PKM
SCHEMBL28396503 0.86 PGR (0.77) SMN1; SMN2LMNAKMT2AMEN1PKM
SCHEMBL29549847 0.86 PGR (0.77) SMN1; SMN2LMNAKMT2AMEN1PKM
SCHEMBL20021987 0.86 PGR (0.77) SMN1; SMN2LMNAKMT2AMEN1PKM
SCHEMBL9479782 0.84 MEN1 (0.67) SMN1; SMN2LMNAKMT2AMEN1PKM
SCHEMBL2614387 0.82 SMN1; SMN2 (1.00) SMN1; SMN2LMNAKMT2AMEN1PKM
SCHEMBL9486049 0.82 ALDH1A1 (0.91) SMN1; SMN2LMNAKMT2AMEN1ALDH1A1
SCHEMBL22651908 0.82 ALDH1A1 (0.91) SMN1; SMN2LMNAKMT2AMEN1ALDH1A1
SCHEMBL9478963 0.81 MEN1 (0.82) SMN1; SMN2LMNAKMT2AMEN1PKM
SCHEMBL9616562 0.81 KMT2A (0.72) SMN1; SMN2LMNAKMT2AMEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210065-A A mixture of an aromatic amine, an oxidizer and an acid MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-05-11 US disclosed
EP-0479578-A1 Color-forming recording material MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-04-08 EP disclosed