SCHEMBL9728372

SCHEMBL9728372

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.39
KCNQ2 O43526 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 3/20 0.38
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ANO1 Q5XXA6 1/20 0.36
ROCK2 O75116 1/20 0.35

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
SCHEMBL9728779 0.91 MAPK1 (0.43) MAPTL3MBTL1PKMALDH1A1LMNA
SCHEMBL9193373 0.91 PKM (0.51) MAPTL3MBTL1PKMALDH1A1KMT2A
SCHEMBL9728757 0.90 PKM (0.41) MAPTL3MBTL1PKMALDH1A1KMT2A
SCHEMBL9728356 0.85 MAPT (0.49) MAPTL3MBTL1PKMALDH1A1KMT2A
SCHEMBL9728169 0.85 MAPT (0.41) MAPTL3MBTL1PKMALDH1A1KMT2A
SCHEMBL9198733 0.84 POLB (0.40) MAPTL3MBTL1PKMALDH1A1KMT2A
SCHEMBL9196221 0.81 MAPT (0.46) MAPTL3MBTL1PKMALDH1A1KMT2A
SCHEMBL9728699 0.75 KCNQ2 (0.41) MAPTL3MBTL1PKMALDH1A1KMT2A
SCHEMBL9196029 0.75 L3MBTL1 (0.51) MAPTL3MBTL1PKMALDH1A1KMT2A
SCHEMBL9196693 0.71 ADRB2 (0.43) MAPTPKMALDH1A1KMT2ALMNA

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