SCHEMBL9195802

SCHEMBL9195802

CCCCCCCCCCCCCCCCCC(=O)NNC(=O)CC#N

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.66
ALDH1A1 P00352 2/20 0.66
HSP90AA1 P07900 1/20 0.52
FAAH O00519 6/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MCL1 Q07820 3/20 0.48
MAPK1 P28482 1/20 0.47
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P2RX7 Q99572 1/20 0.43

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
SCHEMBL10456368 0.84 HSP90AA1 (0.70) GAAALDH1A1HSP90AA1FAAHKMT2A
SCHEMBL8497574 0.84 HSP90AA1 (0.70) GAAALDH1A1HSP90AA1FAAHKMT2A
SCHEMBL9149574 0.84 HSP90AA1 (0.70) GAAALDH1A1HSP90AA1FAAHKMT2A
SCHEMBL29380211 0.84 HSP90AA1 (0.70) GAAALDH1A1HSP90AA1FAAHKMT2A
SCHEMBL29380702 0.84 HSP90AA1 (0.70) GAAALDH1A1HSP90AA1FAAHKMT2A
SCHEMBL7108790 0.84 HSP90AA1 (0.70) GAAALDH1A1HSP90AA1FAAHKMT2A
SCHEMBL7103156 0.84 HSP90AA1 (0.70) GAAALDH1A1HSP90AA1FAAHKMT2A
SCHEMBL6470717 0.84 HSP90AA1 (0.70) GAAALDH1A1HSP90AA1FAAHKMT2A
SCHEMBL22960696 0.84 HSP90AA1 (0.70) GAAALDH1A1HSP90AA1FAAHKMT2A
SCHEMBL29379925 0.82 HSP90AA1 (0.65) GAAALDH1A1HSP90AA1FAAHKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413226-B1 [1,2,4]Triazo [1,5-a]pyridine BASF AG (DE) 1995-05-24 EP disclosed
US-5101028-A Intermediates for dyes BASF AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
EP-0413226-A2 [1,2,4]Triazo [1,5-a]pyridine BASF Aktiengesellschaft (DE) 1991-02-20 EP disclosed