SCHEMBL6668636

SCHEMBL6668636

O=C(NCC1CCCCC1)Nc1cc(Br)c(O)c(Br)c1.O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cc(Br)c(O)c(Br)c1.O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Br)c(O)c(Br)c1.O=C(Nc1ccc(Cl)cc1)Nc1cc(Br)c(O)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
NAMPT P43490 4/20 0.47
EPHX1 P07099 3/20 0.46
EPHX2 P34913 2/20 0.46
CNR1 P21554 1/20 0.46
CCR3 P51677 1/20 0.44
USP30 Q70CQ3 1/20 0.43
POLB P06746 1/20 0.43
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
MCHR1 Q99705 1/20 0.42
MAPT P10636 1/20 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
SCHEMBL6672200 0.82 MTOR (0.46) MTORRAB9ANPC1NAMPTEPHX1
SCHEMBL4350068 0.79 MTOR (0.67) MTORNAMPTEPHX2CNR1MCHR1
SCHEMBL6226495 0.78 CHRNA7 (0.51) MTORRAB9ANPC1NAMPTEPHX1
SCHEMBL4354215 0.76 EPHX1 (0.61) RAB9ANPC1NAMPTEPHX1EPHX2
SCHEMBL6672770 0.74 MAPT (0.46) CCR3MAPT
SCHEMBL6229028 0.73 MTOR (0.56) MTORRAB9ANAMPTCNR1CCR3
SCHEMBL4348910 0.72 EPHX2 (0.69) MTORRAB9AEPHX2MAPT
SCHEMBL6254974 0.71 MEN1 (0.44) MAPT
SCHEMBL23747543 0.71 RAB9A (0.78) RAB9ANPC1NAMPTEPHX1POLB
SCHEMBL4353993 0.71 MTOR (0.67) MTORRAB9ANAMPTCNR1POLB

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