SCHEMBL9525814

SCHEMBL9525814

Cc1ccccc1N1N=C(c2ccccc2)C(=CNc2ccc(Cl)cc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CCKBR P32239 3/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALOX12 P18054 1/20 0.36
TP53 P04637 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
GALK1 P51570 1/20 0.35

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
SCHEMBL9526497 0.92 ALDH1A1 (0.40) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL9526503 0.92 ALDH1A1 (0.40) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL9525658 0.90 CCKBR (0.38) MEN1KMT2AL3MBTL1CCKBRALDH1A1
SCHEMBL9525608 0.81 CCKBR (0.39) MEN1KMT2AL3MBTL1CCKBRALDH1A1
SCHEMBL9727237 0.78 KDM4E (0.45) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL9727241 0.78 KDM4E (0.45) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL9524844 0.73 MAPT (0.50) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL9524853 0.73 MAPT (0.50) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL9525542 0.71 KMT2A (0.64) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL9524477 0.71 MEN1 (0.47) MEN1KMT2AL3MBTL1ALDH1A1MAPT

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-0274642-B1 HERBICIDAL AND FUNGICIDAL AGENTS BASED ON SUBSTITUTED PYRAZOLIN-5-ONE DERIVATIVES BAYER AG (DE) 1993-08-11 EP claimed
US-5162528-A Pre- and post-emergence; phytaphthora in tomato plants; rice and wheat BAYER AKTIENGESELLSCHAFT (DE) 1992-11-10 US claimed
EP-0274642-B1 HERBICIDAL AND FUNGICIDAL AGENTS BASED ON SUBSTITUTED PYRAZOLIN-5-ONE DERIVATIVES BAYER AG (DE) 1993-08-11 EP disclosed