SCHEMBL9524314

SCHEMBL9524314

CCOc1ccc(N2N=C(C)C(=CNc3ccccc3)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.50
L3MBTL1 Q9Y468 7/20 0.50
TDP1 Q9NUW8 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 6/20 0.47
HSP90AA1 P07900 1/20 0.46
MAPT P10636 7/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.45
KAT8 Q9H7Z6 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
MDM4 O15151 1/20 0.44
MDM2 Q00987 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL9524275 0.95 KMT2A (0.53) KMT2AL3MBTL1TDP1KDM4EMEN1
SCHEMBL9525712 0.94 KMT2A (0.45) KMT2AL3MBTL1TDP1KDM4EMEN1
SCHEMBL9727181 0.92 KMT2A (0.44) KMT2AL3MBTL1TDP1MEN1MAPT
SCHEMBL9525794 0.86 KMT2A (0.46) KMT2AL3MBTL1TDP1KDM4EMEN1
SCHEMBL9524224 0.85 KMT2A (0.60) KMT2AL3MBTL1TDP1KDM4EMEN1
SCHEMBL9524221 0.85 KMT2A (0.60) KMT2AL3MBTL1TDP1KDM4EMEN1
SCHEMBL9524479 0.85 KDM4E (0.62) KMT2AL3MBTL1TDP1KDM4EMEN1
SCHEMBL9524488 0.85 KDM4E (0.62) KMT2AL3MBTL1TDP1KDM4EMEN1
SCHEMBL9525479 0.82 KMT2A (0.48) KMT2AL3MBTL1TDP1KDM4EMEN1
SCHEMBL9525542 0.82 KMT2A (0.64) KMT2AL3MBTL1TDP1KDM4EMEN1

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