SCHEMBL9736959

SCHEMBL9736959

COCC1(C)Oc2ccc([N+](=O)[O-])cc2C(Oc2ccc(=O)[nH]n2)=C1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GSK3B P49841 2/20 0.33
ALDH1A1 P00352 2/20 0.32
CAPN9 O14815 1/20 0.32
CASP3 P42574 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
GRK6 P43250 1/20 0.31
CCNE2 O96020 1/20 0.31

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
SCHEMBL9735717 0.80 CCNE1 (0.34) KDM4ELMNANPC1RAB9ANR3C1
SCHEMBL9735811 0.80 MEN1 (0.33) KDM4ELMNANPC1RAB9ANR3C1
SCHEMBL9736241 0.79 ALDH1A1 (0.35) KDM4ELMNANPC1RAB9AMEN1
SCHEMBL9736807 0.78 MALT1 (0.36) NPC1RAB9ANR3C1PGRNR3C2
SCHEMBL9732771 0.78 MEN1 (0.34) KDM4ELMNANPC1RAB9AMEN1
SCHEMBL9737279 0.70 CHRM2 (0.34) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL9735535 0.70 KMT2A (0.36) LMNAARMEN1KMT2AALDH1A1
SCHEMBL9736949 0.69 MAPT (0.32) LMNANR3C1PGRARMEN1
SCHEMBL9735261 0.68 NR1H4 (0.38) KDM4ERAB9ANR3C1PGRNR3C2
SCHEMBL8314892 0.65 TDP2 (0.40) LMNANPC1RAB9APGRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed