SCHEMBL3136625

SCHEMBL3136625

CCCCCCCCNc1nc(NCC(=O)O)nc(NCC(=O)O)n1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
KCNH3 Q9ULD8 2/20 0.51
PPARG P37231 1/20 0.44
DNM2 P50570 5/20 0.44
SLC29A1 Q99808 1/20 0.41
EPHX1 P07099 2/20 0.41
PLA2G2A P14555 1/20 0.41
HCAR3 P49019 1/20 0.41

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
SCHEMBL3264001 1.00 KMT2A (0.55) KMT2AKCNH3PPARGDNM2SLC29A1
SCHEMBL15402299 0.94 KMT2A (0.50) KMT2AKCNH3PPARGDNM2SLC29A1
SCHEMBL22693647 0.93 SLC29A1 (0.47) KMT2AKCNH3PPARGSLC29A1HCAR3
SCHEMBL11306494 0.89 HCAR3 (0.46) KMT2AKCNH3PPARGDNM2HCAR3
SCHEMBL3130544 0.86 KMT2A (0.56) KMT2AKCNH3PPARGPLA2G2A
SCHEMBL3138830 0.86 GPR84 (0.59) KMT2AKCNH3PPARGPLA2G2A
SCHEMBL3130537 0.86 KMT2A (0.55) KMT2AKCNH3PPARGPLA2G2A
SCHEMBL3144710 0.84 PRMT1 (0.46) KMT2AKCNH3
SCHEMBL14441528 0.83 KMT2A (0.67) KMT2AKCNH3DNM2SLC29A1EPHX1
SCHEMBL14441519 0.83 KMT2A (0.67) KMT2AKCNH3DNM2SLC29A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7641813-B2 protect metals from corrosion and are effective in preventing hard water deposits; comprising water soluble liquid alcohol freezing point depressants ethylene glycol, 2,4,6-tris(5-carboxypentylamino)-1,3,5-triazine, a mixture of tolutriazole compounds, 2-ethylhexanoic acid, heptanoic acid CIBA CORPORATION (US) 2010-01-05 US claimed
WO-2009043814-A1 ANTIFREEZE COMPOSITIONS BASF SE (CH) 2009-04-09 WO claimed
US-20090090887-A1 Antifreeze compositions CIBA CORP. 2009-04-09 US claimed
US-7641813-B2 protect metals from corrosion and are effective in preventing hard water deposits; comprising water soluble liquid alcohol freezing point depressants ethylene glycol, 2,4,6-tris(5-carboxypentylamino)-1,3,5-triazine, a mixture of tolutriazole compounds, 2-ethylhexanoic acid, heptanoic acid CIBA CORPORATION (US) 2010-01-05 US disclosed
WO-2009043814-A1 ANTIFREEZE COMPOSITIONS BASF SE (CH) 2009-04-09 WO disclosed
US-20090090887-A1 Antifreeze compositions CIBA CORP. 2009-04-09 US disclosed
EP-0046139-B1 USE OF TRIAZINE-CARBOXYLIC ACIDS AS CORROSION INHIBITORS FOR AQUEOUS SYSTEMS CIBA-GEIGY AG (CH) 1984-07-18 EP disclosed