SCHEMBL9525634

SCHEMBL9525634

CN/C=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
KMT2A Q03164 8/20 0.54
ALDH1A1 P00352 7/20 0.54
MEN1 O00255 6/20 0.54
TDP1 Q9NUW8 6/20 0.54
KDM4E B2RXH2 4/20 0.54
GAA P10253 4/20 0.54
POLB P06746 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
RECQL P46063 1/20 0.54
GALK1 P51570 1/20 0.54
BLM P54132 1/20 0.54
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALOX12 P18054 1/20 0.51
APAF1 O14727 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL9525638 1.00 MAPT (0.54) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL9567334 0.86 KMT2A (0.50) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL9567336 0.86 KMT2A (0.50) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL9524853 0.81 MAPT (0.50) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL9524844 0.81 MAPT (0.50) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL9525436 0.80 MAPT (0.58) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL9525442 0.80 MAPT (0.58) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL9524422 0.79 KMT2A (0.75) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL9727216 0.79 KMT2A (0.75) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL28967915 0.79 MEN1 (0.71) MAPTKMT2AALDH1A1MEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274642-B1 HERBICIDAL AND FUNGICIDAL AGENTS BASED ON SUBSTITUTED PYRAZOLIN-5-ONE DERIVATIVES BAYER AG (DE) 1993-08-11 EP claimed
EP-0274642-B1 HERBICIDAL AND FUNGICIDAL AGENTS BASED ON SUBSTITUTED PYRAZOLIN-5-ONE DERIVATIVES BAYER AG (DE) 1993-08-11 EP disclosed