SCHEMBL9728757

SCHEMBL9728757

CC(C)C(c1ccc(NC(=O)Cc2cccc(Cl)c2)c([N+](=O)[O-])c1)n1cncn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNQ2 O43526 4/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.38
POLB P06746 3/20 0.38
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
CSNK1D P48730 2/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1C Q13936 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36

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
SCHEMBL9728356 0.91 MAPT (0.49) PKML3MBTL1MAPTALDH1A1MEN1
SCHEMBL9193373 0.91 PKM (0.51) PKML3MBTL1MAPTALDH1A1MEN1
SCHEMBL9728372 0.90 MAPT (0.41) PKML3MBTL1KCNQ2MAPTALDH1A1
SCHEMBL9728779 0.85 MAPK1 (0.43) PKML3MBTL1MAPTALDH1A1MAPK1
SCHEMBL9728699 0.85 KCNQ2 (0.41) PKML3MBTL1KCNQ2MAPTALDH1A1
SCHEMBL9198733 0.84 POLB (0.40) PKML3MBTL1MAPTALDH1A1MEN1
SCHEMBL9196221 0.81 MAPT (0.46) PKML3MBTL1MAPTALDH1A1MEN1
SCHEMBL9728169 0.75 MAPT (0.41) PKML3MBTL1KCNQ2MAPTALDH1A1
SCHEMBL9196029 0.75 L3MBTL1 (0.51) PKML3MBTL1MAPTALDH1A1MEN1
SCHEMBL10102444 0.71 CYP19A1 (0.52) MAPTKMT2A

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-5151421-A Compounds for inhibition of metabolism of retinoids, for treatment for proliferation of epithelial cells and keratin disorders JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-29 US disclosed
US-5028606-A Retinoid metabolism inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 1991-07-02 US disclosed