SCHEMBL6672789

SCHEMBL6672789

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(O)cc1O.O=C(Nc1ccc(O)cc1O)NC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.60
EPHX2 P34913 12/20 0.57
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
TRPV1 Q8NER1 1/20 0.51
BAZ1A Q9NRL2 1/20 0.50

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
SCHEMBL4350115 0.86 BAZ1A (0.65) EPHX2RAB9AMEN1HTTKMT2A
SCHEMBL4346187 0.85 EPHX1 (0.63) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL28356482 0.85 EPHX1 (0.74) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL2752048 0.83 EPHX2 (0.71) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL20365330 0.79 KMT2A (0.67) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL8391687 0.77 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL12196184 0.77 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL3886168 0.76 EPHX2 (0.58) EPHX2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL23736048 0.74 EPHX2 (0.75) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL5598039 0.74 EPHX2 (0.75) EPHX1EPHX2NPC1RAB9ASMN1; SMN2

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