SCHEMBL7645892

SCHEMBL7645892

COc1ccc(Oc2cc(N)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
CTSV O60911 3/20 0.43
CTSL P07711 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
ABCB1 P08183 2/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
CYP19A1 P11511 2/20 0.42

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
SCHEMBL7647567 0.85 NPC1 (0.42) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL10417341 0.83 KMT2A (0.56) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL7005180 0.81 KMT2A (0.59) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL7647773 0.81 CYP19A1 (0.60) KMT2AMEN1MAPTCTSVCTSL
SCHEMBL16537734 0.81 MEN1 (0.53) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL9314457 0.80 RAB9A (0.58) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL2145763 0.79 POLB (0.52) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL3926941 0.78 KMT2A (0.53) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL30189830 0.78 KMT2A (0.53) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL11232948 0.78 ABCB1 (0.57) KMT2AMEN1MAPTNPC1RAB9A

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-6482953-B1 2-benzyloxy-4-nitro-5-substituted-acylanilide compounds and method of using them EASTMAN KODAK COMPANY 2002-11-19 US disclosed