SCHEMBL29200401

SCHEMBL29200401

O=C(Cc1ccccc1Br)Nc1cccc(CCl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
KCNJ5 P48544 4/20 0.52
KCNJ3 P48549 4/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
P2RY14 Q15391 1/20 0.51
KCNJ6 P48051 2/20 0.50
ANO1 Q5XXA6 1/20 0.49
MAPT P10636 2/20 0.48
EPHX2 P34913 1/20 0.46
NLRP3 Q96P20 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
MAPK8 P45983 1/20 0.45

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
SCHEMBL30802689 1.00 CA12 (0.53) CA12CA1CA2CA9KCNJ5
SCHEMBL4717808 0.88 CA12 (0.54) CA12CA1CA2CA9KCNJ5
SCHEMBL30802682 0.88 CA12 (0.54) CA12CA1CA2CA9KCNJ5
SCHEMBL29200411 0.85 KCNJ5 (0.72) KCNJ5KCNJ3KMT2AMEN1LMNA
SCHEMBL30802695 0.85 KCNJ5 (0.72) KCNJ5KCNJ3KMT2AMEN1LMNA
SCHEMBL28762298 0.81 CA12 (0.70) CA12CA1CA2CA9KCNJ5
SCHEMBL29200447 0.81 KMT2A (0.57) KMT2AMEN1LMNAGAAALDH1A1
SCHEMBL30802694 0.81 KMT2A (0.57) KMT2AMEN1LMNAGAAALDH1A1
SCHEMBL29200430 0.81 KMT2A (0.72) KMT2AMEN1LMNAGAAALDH1A1
SCHEMBL30802660 0.81 KMT2A (0.72) KMT2AMEN1LMNAGAAALDH1A1

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