SCHEMBL29200352

SCHEMBL29200352

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.72
KMT2A Q03164 7/20 0.62
MEN1 O00255 6/20 0.62
MAPT P10636 4/20 0.62
LMNA P02545 3/20 0.60
KCNJ6 P48051 1/20 0.60
KCNJ5 P48544 1/20 0.60
KCNJ3 P48549 1/20 0.60
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CNR1 P21554 1/20 0.56
ALDH1A1 P00352 2/20 0.55
POLB P06746 2/20 0.55
HPGD P15428 1/20 0.55
KDM4E B2RXH2 2/20 0.54
TP53 P04637 1/20 0.54
EPHX2 P34913 1/20 0.54
NPY1R P25929 1/20 0.53

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
SCHEMBL30802669 1.00 NLRP3 (0.72) NLRP3KMT2AMEN1MAPTLMNA
SCHEMBL29200388 0.88 NLRP3 (0.72) NLRP3KMT2AMEN1MAPTLMNA
SCHEMBL29200413 0.88 MEN1 (0.66) NLRP3KMT2AMEN1MAPTKCNJ5
SCHEMBL30802671 0.88 NLRP3 (0.72) NLRP3KMT2AMEN1MAPTLMNA
SCHEMBL30802681 0.88 MEN1 (0.66) NLRP3KMT2AMEN1MAPTKCNJ5
SCHEMBL30802660 0.87 KMT2A (0.72) NLRP3KMT2AMEN1MAPTLMNA
SCHEMBL29200430 0.87 KMT2A (0.72) NLRP3KMT2AMEN1MAPTLMNA
SCHEMBL21620304 0.82 ALDH1A1 (0.74) NLRP3KMT2AMEN1MAPTLMNA
SCHEMBL29200447 0.81 KMT2A (0.57) NLRP3KMT2AMEN1MAPTLMNA
SCHEMBL30802694 0.81 KMT2A (0.57) NLRP3KMT2AMEN1MAPTLMNA

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