SCHEMBL29200430

SCHEMBL29200430

O=C(Cc1ccc(Br)cc1)Nc1cccc(CCl)c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.72
MEN1 O00255 8/20 0.72
MAPT P10636 1/20 0.72
NLRP3 Q96P20 3/20 0.70
ALDH1A1 P00352 4/20 0.60
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 1/20 0.58
GAA P10253 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
EPHX2 P34913 1/20 0.53
USP2 O75604 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL30802660 1.00 KMT2A (0.72) KMT2AMEN1MAPTNLRP3ALDH1A1
SCHEMBL29200447 0.89 KMT2A (0.57) KMT2AMEN1MAPTNLRP3ALDH1A1
SCHEMBL30802694 0.89 KMT2A (0.57) KMT2AMEN1MAPTNLRP3ALDH1A1
SCHEMBL30802704 0.87 NLRP3 (0.72) KMT2AMEN1MAPTNLRP3ALDH1A1
SCHEMBL29200377 0.87 NLRP3 (0.72) KMT2AMEN1MAPTNLRP3ALDH1A1
SCHEMBL29200352 0.87 NLRP3 (0.72) KMT2AMEN1MAPTNLRP3ALDH1A1
SCHEMBL30802669 0.87 NLRP3 (0.72) KMT2AMEN1MAPTNLRP3ALDH1A1
SCHEMBL30802733 0.81 KMT2A (0.66) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL29200414 0.81 KMT2A (0.66) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL30802681 0.81 MEN1 (0.66) KMT2AMEN1MAPTNLRP3ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117658868-A Benzamide derivative and preparation method and application thereof 中山大学 2024-03-08 CN disclosed