SCHEMBL7776211

SCHEMBL7776211

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.57
▸ TSHR P16473 4/20 0.57
▸ CYP3A4 P08684 3/20 0.57
▸ TDP1 Q9NUW8 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ PFKFB3 Q16875 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ NPY5R Q15761 1/20 0.37
▸ CA2 P00918 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ KCNH3 Q9ULD8 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL8050048 0.93 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL8051374 0.93 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL7774846 0.91 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL7174778 0.88 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL7776357 0.88 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL27922409 0.88 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL6926880 0.88 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL8051022 0.86 ALDH1A1 (0.43) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL8057069 0.83 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4KDM4EPFKFB3
SCHEMBL8051201 0.82 LMNA (0.52) ALDH1A1TSHRCYP3A4LMNAPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882720-B1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2001-08-22 — — EP disclosed
US-6127538-A HYDROXYALKYLATION OF A TRIAMINO TRIAZINE DERIVATIVE HAVING AT LEAST ONE REACTIVE NITROGEN BY REACTING WHILE HEATING WITH AN ALKANEDIOL OR ITS ADDUCT IN THE PRESENCE OF HYDROGEN AND A METAL CATALYST; BY-PRODUCT INHIBITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-03 — — US disclosed
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-0882720-A1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-12-09 — — EP disclosed
EP-0834523-A1 EPOXY/ACID ANHYDRIDE COMPOSITION NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-04-08 — — EP disclosed
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