SCHEMBL9527009

SCHEMBL9527009

CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CN(C)C

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.74
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
ALDH1A1 P00352 2/20 0.67
ABCG2 Q9UNQ0 1/20 0.67
MAPT P10636 1/20 0.67
PKM P14618 1/20 0.67
TDP1 Q9NUW8 1/20 0.64
AMY1A P0DUB6 14/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
HSP90AA1 P07900 1/20 0.52

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
SCHEMBL444648 0.85 KDM4E (1.00) KDM4EMEN1KMT2AALDH1A1ABCG2
SCHEMBL420976 0.85 KDM4E (1.00) KDM4EMEN1KMT2AALDH1A1ABCG2
SCHEMBL9525520 0.82 AMY1A (0.63) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL9525774 0.82 AMY1A (0.63) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL9525471 0.82 KDM4E (0.68) KDM4EMEN1KMT2AALDH1A1ABCG2
SCHEMBL9525314 0.81 MEN1 (1.00) KDM4EMEN1KMT2AALDH1A1ABCG2
SCHEMBL9524415 0.81 KDM4E (0.67) KDM4EMEN1KMT2AALDH1A1ABCG2
SCHEMBL11244851 0.78 AMY1A (0.59) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL28967919 0.77 KMT2A (0.90) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL28967914 0.77 KMT2A (0.90) MEN1KMT2AALDH1A1MAPTTDP1

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