SCHEMBL8051022

SCHEMBL8051022

CCCCC(CC)CNc1nc(NCC(CC)CCCC)nc(N(CCCC)CCCC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ TSHR P16473 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CRHR1 P34998 3/20 0.39
▸ SLC29A1 Q99808 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ PFKFB3 Q16875 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7776211 0.86 ALDH1A1 (0.57) ALDH1A1TSHRCYP3A4KDM4ETDP1
SCHEMBL29464064 0.86 LMNA (0.42) ALDH1A1TSHRCYP3A4CRHR1SLC29A1
SCHEMBL29464061 0.85 SLC29A1 (0.35) ALDH1A1TSHRCYP3A4SLC29A1TDP1
SCHEMBL8050048 0.80 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4SLC29A1KDM4E
SCHEMBL8051374 0.80 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4KDM4ETDP1
SCHEMBL7774846 0.78 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4KDM4ETDP1
SCHEMBL6641031 0.76 SLC29A1 (0.51) CRHR1SLC29A1SMN1; SMN2
SCHEMBL7174778 0.75 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4KDM4ETDP1
SCHEMBL6926880 0.75 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4KDM4ETDP1
SCHEMBL7776357 0.75 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4KDM4ETDP1

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-6124381-A CURING ACCELERATOR IS A 2-((MONO- OR DI-ALKYL)AMINO, MORPHOLINO, PIPERIDINO, METHYL OR PHENYL)-4,6-SUBSTITUTED DIAMINO-1,3,5-TRIAZINE OF GIVEN FORMULA; POT LIFE, STORAGE STABILITY, AND WORKABILITY NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 — — US disclosed
EP-0834523-A1 EPOXY/ACID ANHYDRIDE COMPOSITION NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-04-08 — — EP disclosed
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