SCHEMBL11668917

SCHEMBL11668917

O=C(Nc1ccc(Cl)cc1)N1CCCCN1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 5/20 0.48
TP53 P04637 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALOX5 P09917 1/20 0.47
CNR1 P21554 1/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
GAA P10253 2/20 0.46
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL4449787 0.95 LMNA (0.50) LMNANPC1RAB9ATDP1MAPT
SCHEMBL10671305 0.84 KMT2A (0.62) NPC1RAB9ATDP1MAPTTP53
SCHEMBL6109583 0.84 POLB (0.59) LMNANPC1RAB9AMAPTTP53
SCHEMBL9764217 0.83 SMN1; SMN2 (0.62) LMNANPC1RAB9ATDP1SMN1; SMN2
SCHEMBL4954488 0.83 POLB (0.58) LMNANPC1RAB9AMAPTTP53
SCHEMBL13787488 0.79 POLB (0.61) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL10596224 0.78 MAPT (0.69) LMNANPC1RAB9ATDP1MAPT
SCHEMBL654537 0.78 POLB (0.69) LMNANPC1RAB9ATDP1MAPT
SCHEMBL38658697 0.77 POLB (0.51) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13234925 0.77 RAB9A (0.70) LMNANPC1RAB9ATDP1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-52113961-A None JP disclosed
JP-S52113961-A 1,2-ALKYLENE-1-ARYLTHIOCARBAMOYLHYDRAZINES MITSUBISHI CHEM IND LTD 1977-09-24 JP disclosed