SCHEMBL4390104

SCHEMBL4390104

O=C(Nc1ccc(Cl)cc1Cl)N1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
TAS1R3 Q7RTX0 2/20 0.62
TAS1R1 Q7RTX1 2/20 0.62
TAS1R2 Q8TE23 2/20 0.62
MAPT P10636 4/20 0.61
KDM4E B2RXH2 1/20 0.61
GOT1 P17174 1/20 0.55
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.50
PAK1 Q13153 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ATM Q13315 1/20 0.50
EPHX2 P34913 1/20 0.49
PDGFRB P09619 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4593633 0.86 MAPT (0.77) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL4391929 0.86 MAPT (0.71) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL2405762 0.84 MAPT (0.57) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL654537 0.78 POLB (0.69) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL2093132 0.78 MAPT (0.60) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL30250340 0.77 MEN1 (0.56) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL20886934 0.77 POLB (0.55) TAS1R3TAS1R1TAS1R2MAPTKDM4E
SCHEMBL4396084 0.77 ALDH1A1 (0.76) MEN1KMT2AMAPTKDM4EGOT1
SCHEMBL32660753 0.77 ALDH1A1 (0.76) MEN1KMT2AMAPTKDM4EGOT1
SCHEMBL702622 0.77 TAS1R3 (1.00) MEN1KMT2ATAS1R3TAS1R1TAS1R2

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-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed