SCHEMBL9728356

SCHEMBL9728356

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 2/20 0.43
PSMD14 O00487 1/20 0.42
PKM P14618 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
POLB P06746 2/20 0.39
ADRB2 P07550 1/20 0.39

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) MAPTMAPK1PKML3MBTL1ALDH1A1
SCHEMBL9193373 0.91 PKM (0.51) MAPTMEN1KMT2AMAPK1PKM
SCHEMBL9728757 0.91 PKM (0.41) MAPTMEN1KMT2AMAPK1PKM
SCHEMBL9198733 0.86 POLB (0.40) MAPTMEN1KMT2AMAPK1PKM
SCHEMBL9728372 0.85 MAPT (0.41) MAPTKMT2AMAPK1PKML3MBTL1
SCHEMBL9196221 0.83 MAPT (0.46) MAPTMEN1KMT2AMAPK1PKM
SCHEMBL10102444 0.77 CYP19A1 (0.52) MAPTKMT2A
SCHEMBL9728699 0.75 KCNQ2 (0.41) MAPTMEN1KMT2AMAPK1PKM
SCHEMBL9196029 0.75 L3MBTL1 (0.51) MAPTMEN1KMT2AMAPK1PKM
SCHEMBL9196693 0.72 ADRB2 (0.43) MAPTMEN1KMT2APKMALDH1A1

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