SCHEMBL9525658

SCHEMBL9525658

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.38
MAPT P10636 8/20 0.36
ALDH1A1 P00352 8/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
TDP1 Q9NUW8 4/20 0.36
LMNA P02545 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX12 P18054 2/20 0.36
GAA P10253 4/20 0.36
POLB P06746 2/20 0.36
BLM P54132 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RECQL P46063 1/20 0.36
GALK1 P51570 1/20 0.36
CASP3 P42574 1/20 0.36
CCR6 P51684 2/20 0.36

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 0.93 ALDH1A1 (0.40) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL9526503 0.93 ALDH1A1 (0.40) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL9525814 0.90 MEN1 (0.40) CCKBRMAPTALDH1A1MEN1KMT2A
SCHEMBL9525608 0.89 CCKBR (0.39) CCKBRMAPTALDH1A1MEN1KMT2A
SCHEMBL9524844 0.84 MAPT (0.50) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL9524853 0.84 MAPT (0.50) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL9524477 0.82 MEN1 (0.47) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL9727237 0.79 KDM4E (0.45) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL9727241 0.79 KDM4E (0.45) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL9525479 0.70 KMT2A (0.48) MAPTALDH1A1MEN1KMT2ATDP1

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