SCHEMBL8940741

SCHEMBL8940741

Clc1ccc(NCCNc2cccnc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
RAB9A P51151 2/20 0.57
NAMPT P43490 2/20 0.53
CYP11B2 P19099 2/20 0.51
CYP11B1 P15538 1/20 0.51
LMNA P02545 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LTA4H P09960 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALPL P05186 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 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
SCHEMBL10984578 0.81 RAB9A (0.71) MEN1KMT2ARAB9ANAMPTCYP11B2
SCHEMBL30520318 0.81 RAB9A (0.71) MEN1KMT2ARAB9ANAMPTCYP11B2
SCHEMBL20172469 0.79 KMT2A (0.62) MEN1KMT2ARAB9ANAMPTCYP11B2
SCHEMBL27316413 0.79 RAB9A (0.50) MEN1KMT2ARAB9ACYP11B2GAA
SCHEMBL11528235 0.78 MAPT (0.58) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL9639726 0.78 MAPT (0.55) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL22851453 0.78 RAB9A (0.53) MEN1KMT2ARAB9AALDH1A1GAA
SCHEMBL10561769 0.77 LTA4H (0.72) MEN1KMT2ANAMPTLMNAALDH1A1
SCHEMBL4024804 0.77 FLT4 (0.47) MEN1KMT2ARAB9ANAMPTCYP11B2
SCHEMBL21087536 0.76 CYP2A6 (0.50) MEN1KMT2ARAB9ALMNAALDH1A1

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-8176111-A None JP disclosed
JP-H08176111-A N,N'-DI-SUBSTITUTED ETHYLENEDIAMINE DERIVATIVE AND PRODUCTION OF N,N'-DI-SUBSTITUTED IMIDAZOLIDINONE DERIVATIVE USING THE SAME KYORIN PHARMACEUT CO LTD 1996-07-09 JP disclosed