SCHEMBL9524844

SCHEMBL9524844

O=C1/C(=C\Nc2ccc(Br)cc2)C(c2ccccc2)=NN1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 6/20 0.50
GAA P10253 4/20 0.50
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
GALK1 P51570 1/20 0.50
BLM P54132 1/20 0.50
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALOX12 P18054 1/20 0.45
KAT8 Q9H7Z6 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42

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
SCHEMBL9524853 1.00 MAPT (0.50) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL9524477 0.95 MEN1 (0.47) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL9525658 0.84 CCKBR (0.38) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL9525479 0.82 KMT2A (0.48) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL9525634 0.81 MAPT (0.54) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL9525638 0.81 MAPT (0.54) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL9525442 0.76 MAPT (0.58) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL9525436 0.76 MAPT (0.58) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL9526497 0.75 ALDH1A1 (0.40) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL9526503 0.75 ALDH1A1 (0.40) MAPTMEN1KMT2AALDH1A1TDP1

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