SCHEMBL9728779

SCHEMBL9728779

CC(C)C(c1ccc(NC(=O)Cc2ccc(F)cc2)c([N+](=O)[O-])c1)n1cncn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
MAPT P10636 7/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CACNA1H O95180 1/20 0.40
LMNA P02545 2/20 0.39
RECQL P46063 1/20 0.39
HTT P42858 1/20 0.38
CYP19A1 P11511 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 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
SCHEMBL9728356 0.91 MAPT (0.49) MAPK1MAPTALDH1A1PKML3MBTL1
SCHEMBL9193373 0.91 PKM (0.51) MAPK1MAPTALDH1A1PKML3MBTL1
SCHEMBL9728372 0.91 MAPT (0.41) MAPK1MAPTALDH1A1PKML3MBTL1
SCHEMBL9198733 0.86 POLB (0.40) MAPK1MAPTALDH1A1PKML3MBTL1
SCHEMBL9728757 0.85 PKM (0.41) MAPK1MAPTALDH1A1PKML3MBTL1
SCHEMBL9196221 0.83 MAPT (0.46) MAPK1MAPTALDH1A1PKML3MBTL1
SCHEMBL9728169 0.75 MAPT (0.41) MAPK1MAPTALDH1A1PKML3MBTL1
SCHEMBL9196029 0.75 L3MBTL1 (0.51) MAPK1MAPTALDH1A1PKML3MBTL1
SCHEMBL9196693 0.72 ADRB2 (0.43) MAPTALDH1A1PKMLMNACYP19A1
SCHEMBL4992000 0.71 MAPK1 (0.55) MAPK1MAPTALDH1A1PKML3MBTL1

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