SCHEMBL12841645

SCHEMBL12841645

Nn1c(-c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ LMNA P02545 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PTGS2 P35354 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD11B1 P28845 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ GLA P06280 1/20 0.45
▸ GFER P55789 1/20 0.43
▸ MAPT P10636 1/20 0.42

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
SCHEMBL4349728 0.86 KMT2A (0.45) KMT2AHSD17B10KDM4ELMNAALDH1A1
SCHEMBL28288818 0.76 GLA (0.53) KMT2AHSD17B10KDM4ELMNAALDH1A1
SCHEMBL12841647 0.75 KMT2A (1.00) KMT2AHSD17B10LMNAALDH1A1NPC1
SCHEMBL21111108 0.73 KMT2A (0.62) KMT2AKDM4ELMNAALDH1A1NPC1
SCHEMBL8845881 0.71 KMT2A (0.54) KMT2AKDM4EALDH1A1HPGD
SCHEMBL18912121 0.71 HSD11B1 (0.59) KMT2AHSD17B10KDM4ELMNAALDH1A1
SCHEMBL13983998 0.70 BCHE (0.67) KMT2AHSD17B10KDM4ELMNAALDH1A1
SCHEMBL28739190 0.70 ALDH1A1 (0.53) KMT2AHSD17B10KDM4ELMNAALDH1A1
SCHEMBL6598339 0.70 ALDH1A1 (0.42) KMT2AHSD17B10KDM4EALDH1A1NPC1
SCHEMBL1544137 0.69 HSD11B1 (0.56) KMT2AHSD17B10KDM4EALDH1A1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011035064-A2 TRIAZOLE CATALYSTS AND METHODS OF MAKING AND USING THE SAME UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2011-03-24 — — WO disclosed
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