SCHEMBL9528601

SCHEMBL9528601

CNC=C1C(=O)N(c2ccc(C(F)(F)F)cc2)N=C1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 8/20 0.43
MAPT P10636 7/20 0.43
L3MBTL1 Q9Y468 7/20 0.43
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 6/20 0.43
TDP1 Q9NUW8 4/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PKM P14618 2/20 0.43
MAPK1 P28482 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
AMY1A P0DUB6 3/20 0.41
KAT8 Q9H7Z6 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL9727197 0.82 AMY1A (0.60) KDM4EKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL9524475 0.82 AMY1A (0.60) KDM4EKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL9525471 0.81 KDM4E (0.68) KDM4EKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL28967911 0.76 KMT2A (0.70) KDM4EKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL28967907 0.76 KMT2A (0.70) KDM4EKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL13408638 0.74 KMT2A (0.59) KDM4EKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL9525810 0.72 KMT2A (0.47) KDM4EKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL9524224 0.69 KMT2A (0.60) KDM4EKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL9524221 0.69 KMT2A (0.60) KDM4EKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL11244851 0.69 AMY1A (0.59) KMT2AMAPTL3MBTL1ALDH1A1MEN1

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 5 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 disclosed
US-5162528-A Pre- and post-emergence; phytaphthora in tomato plants; rice and wheat BAYER AKTIENGESELLSCHAFT (DE) 1992-11-10 US disclosed
US-5028717-A Herbicidal and fungicidal agents based on substituted pyrazolin-5-one derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed
US-4909827-A Containing a C6-10 aryl group substituted in position 1 BAYER AKTIENGESELLSCHAFT (DE) 1990-03-20 US disclosed
EP-0274642-A2 Herbicidal and fungicidal agents based on substituted pyrazolin-5-one derivatives BAYER AG (DE) 1988-07-20 EP disclosed