SCHEMBL30945840

SCHEMBL30945840

CCCN1CCCc2ccccc21

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.97
MEN1 O00255 3/20 0.97
KMT2A Q03164 3/20 0.97
USP2 O75604 1/20 0.61
CDK4 P11802 1/20 0.61
ALOX15 P16050 1/20 0.61
CCND1 P24385 1/20 0.61
CHRM2 P08172 12/20 0.57
CHRM4 P08173 12/20 0.57
CHRM1 P11229 12/20 0.57
CHRM3 P20309 12/20 0.57
KDM4E B2RXH2 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
PTK2B Q14289 1/20 0.54
ESR2 Q92731 1/20 0.54
GAA P10253 2/20 0.51
TP53 P04637 1/20 0.51
CASP1 P29466 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL6197333 1.00 ALDH1A1 (0.97) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL30433983 0.90 ALDH1A1 (0.79) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL6882714 0.90 ALDH1A1 (0.79) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL4935582 0.89 ALDH1A1 (0.78) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7951597 0.89 ALDH1A1 (0.77) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL5668195 0.88 ALDH1A1 (0.77) ALDH1A1MEN1KMT2AUSP2CDK4
Ammonia Solution, Strong SCHEMBL11729771 0.87 ALDH1A1 (0.75) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL25277467 0.87 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL10408895 0.87 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL25226247 0.87 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AUSP2CDK4

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
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed