SCHEMBL9022967

SCHEMBL9022967

Cc1cccc(N2NCNC2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
ALOX5 P09917 4/20 0.49
HSP90AA1 P07900 1/20 0.47
MGLL Q99685 1/20 0.47
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADRB1 P08588 1/20 0.45
ALKBH5 Q6P6C2 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
CASP6 P55212 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7645366 0.77 GAA (0.41) ALOX5MGLLMAPTMEN1KMT2A
SCHEMBL18454948 0.70 L3MBTL1 (0.44) L3MBTL1ALOX5HSP90AA1MGLLMAPT
SCHEMBL11842431 0.69 L3MBTL1 (0.64) L3MBTL1ALOX5HSP90AA1MGLLMAPT
SCHEMBL29509484 0.69 ALOX5 (0.47) L3MBTL1ALOX5HSP90AA1MGLLMAPT
SCHEMBL150081 0.69 ALOX5 (0.60) L3MBTL1ALOX5HSP90AA1MGLLMAPT
SCHEMBL16004434 0.67 HSP90AA1 (0.59) L3MBTL1ALOX5HSP90AA1MGLLMAPT
SCHEMBL259385 0.67 L3MBTL1 (1.00) L3MBTL1ALOX5HSP90AA1MGLLMAPT
SCHEMBL21637754 0.67 ALOX5 (0.54) L3MBTL1ALOX5HSP90AA1MGLLMAPT
SCHEMBL28639508 0.67 ADRB1 (0.50) L3MBTL1ALOX5HSP90AA1MGLLMAPT
SCHEMBL5675303 0.67 ALKBH5 (0.65) L3MBTL1ALOX5HSP90AA1MGLLMAPT

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
EP-0490936-B1 PRODUCTION OF TRIAZOLINONES FMC CORP (US) 1996-10-23 EP disclosed