SCHEMBL10938329

SCHEMBL10938329

CN(CCCN)CCCNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.56
▸ KMT2A Q03164 5/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ HTT P42858 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ BCHE P06276 3/20 0.52
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ MEN1 O00255 3/20 0.50
▸ ATM Q13315 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HTR1A P08908 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ HTR6 P50406 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ CYP1A2 P05177 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
SCHEMBL10939304 0.89 SLC2A1 (0.56) SLC2A1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL10702781 0.85 SLC2A1 (0.69) SLC2A1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL10934704 0.81 MEN1 (0.54) KMT2AKDM4EBCHEMEN1CYP1A2
SCHEMBL17481417 0.79 SLC2A1 (0.51) SLC2A1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL14691619 0.78 SLC2A1 (0.73) SLC2A1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL29721229 0.78 SLC2A1 (0.73) SLC2A1KMT2ASMN1; SMN2HTTLMNA
Hydrochloric Acid SCHEMBL29721109 0.76 SLC2A1 (0.71) SLC2A1KMT2ASMN1; SMN2HTTLMNA
Hydrochloric Acid SCHEMBL18529888 0.76 SLC2A1 (0.71) SLC2A1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL17481408 0.76 SLC2A1 (0.53) SLC2A1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL21633605 0.76 SLC2A1 (0.60) SLC2A1KMT2ASMN1; SMN2HTTLMNA

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
US-4500452-A NOT SUBJECT TO ENZYME DEACTIVATION NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1985-02-19 — — US disclosed
US-4472304-A CARCINOSTATIC NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1984-09-18 — — US disclosed
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