SCHEMBL29625922

SCHEMBL29625922

Cc1cccc(NC(=O)Nc2ccc(Oc3ccccc3)c(S(C)(=O)=O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.56
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
MAPT P10636 4/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
CDK8 P49336 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
KDR P35968 3/20 0.48
PDGFRA P16234 1/20 0.48
MAPK1 P28482 1/20 0.48
SAE1 Q9UBE0 1/20 0.48

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
SCHEMBL28738420 1.00 IDH1 (0.56) IDH1KMT2AMEN1MAPTLMNA
SCHEMBL29625910 0.92 IDH1 (0.56) IDH1MAPTCA12CA1CA2
SCHEMBL28738385 0.92 IDH1 (0.56) IDH1MAPTCA12CA1CA2
SCHEMBL23051396 0.84 KMT2A (0.58) IDH1KMT2AMEN1MAPTLMNA
SCHEMBL23051408 0.83 KMT2A (0.57) IDH1KMT2AMEN1MAPTLMNA
SCHEMBL10192075 0.81 KMT2A (0.71) IDH1KMT2AMEN1MAPTLMNA
SCHEMBL23041016 0.81 KMT2A (0.55) IDH1KMT2AMEN1MAPTLMNA
SCHEMBL29625934 0.81 KMT2A (0.55) IDH1KMT2AMEN1MAPTLMNA
SCHEMBL23051387 0.80 MEN1 (0.55) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL23051422 0.80 KMT2A (0.55) KMT2AMEN1MAPTLMNASMN1; SMN2

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
CN-114423743-A Triazine derivatives for the treatment of diseases associated with neurotrophic factors 阿泽克制药公司 2022-04-29 CN disclosed