SCHEMBL8050048

SCHEMBL8050048

CCCCNc1nc(NCC(CC)CCCC)nc(NCC(CC)CCCC)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ TSHR P16473 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ SLC29A1 Q99808 1/20 0.41
▸ KCNH3 Q9ULD8 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PFKFB3 Q16875 1/20 0.36
▸ GBA1 P04062 1/20 0.35
▸ DNM2 P50570 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPY5R Q15761 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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 0.93 ALDH1A1 (0.57) ALDH1A1TSHRCYP3A4KCNH3KMT2A
SCHEMBL8051374 0.86 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4CA2TDP1
SCHEMBL7774846 0.85 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4KMT2ATDP1
SCHEMBL7776357 0.81 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4KMT2ATDP1
SCHEMBL27922409 0.81 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4CA2TDP1
SCHEMBL6926880 0.81 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4KMT2ATDP1
SCHEMBL7174778 0.81 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL8051022 0.80 ALDH1A1 (0.43) ALDH1A1TSHRCYP3A4SLC29A1TDP1
SCHEMBL2784426 0.79 SLC29A1 (0.57) SLC29A1KCNH3KMT2ACA1CA2
SCHEMBL29464061 0.78 SLC29A1 (0.35) ALDH1A1TSHRCYP3A4SLC29A1KCNH3

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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