SCHEMBL6684479

SCHEMBL6684479

Cc1ccccc1NC(=O)Nc1ccc(O)c([N+](=O)[O-])c1.N#Cc1ccc(NC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1.O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccc(O)c([N+](=O)[O-])c1.O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(O)c([N+](=O)[O-])c1.O=C(Nc1ccc(Cl)cc1)Nc1ccc(O)c([N+](=O)[O-])c1.O=C(Nc1ccc(O)c([N+](=O)[O-])c1)NC1CCCCC1.O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(O)c([N+](=O)[O-])c1.O=C(Nc1ccc2c(c1)OCO2)Nc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
EPHX1 P07099 4/20 0.38
P2RY1 P47900 7/20 0.38
PLA2G2A P14555 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 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
SCHEMBL6685135 0.83 P2RY1 (0.36) EPHX2RAB9ANPC1EPHX1P2RY1
SCHEMBL6682524 0.82 EPHX2 (0.34) EPHX2RAB9ANPC1EPHX1P2RY1
SCHEMBL6251538 0.82 NPC1 (0.42) EPHX2RAB9ANPC1EPHX1P2RY1
SCHEMBL6685856 0.81 P2RY1 (0.36) EPHX2RAB9ANPC1P2RY1PLA2G2A
SCHEMBL6251451 0.79 EPHX2 (0.49) EPHX2RAB9ANPC1EPHX1P2RY1
SCHEMBL6252255 0.77 P2RY1 (0.33) EPHX2RAB9ANPC1EPHX1P2RY1
SCHEMBL6249425 0.75 EPHX2 (0.54) EPHX2RAB9ANPC1EPHX1
SCHEMBL6682615 0.74 RAB9A (0.56) RAB9ANPC1P2RY1KMT2AMEN1
SCHEMBL6687019 0.74 NPC1 (0.40) EPHX2RAB9ANPC1EPHX1P2RY1
SCHEMBL6251215 0.74 EPHX2 (0.51) EPHX2RAB9ANPC1EPHX1

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
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed