SCHEMBL29200427

SCHEMBL29200427

O=C(Nc1cccc(CO)c1)c1ccc(Br)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.68
MEN1 O00255 7/20 0.68
TP53 P04637 3/20 0.68
RAB9A P51151 3/20 0.66
MAPK1 P28482 3/20 0.66
NPC1 O15118 2/20 0.66
SMN1; SMN2 Q16637 3/20 0.63
PARP1 P09874 1/20 0.58
PARP2 Q9UGN5 1/20 0.58
ALDH1A1 P00352 3/20 0.58
SENP1 Q9P0U3 1/20 0.57
MAPT P10636 4/20 0.55
LMNA P02545 1/20 0.55
ALOX12 P18054 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HPSE Q9Y251 1/20 0.55
HSP90AA1 P07900 1/20 0.54
POLB P06746 1/20 0.53
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52

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
SCHEMBL30802709 1.00 KMT2A (0.68) KMT2AMEN1TP53RAB9AMAPK1
SCHEMBL21449753 0.87 KMT2A (0.70) KMT2AMEN1TP53RAB9AMAPK1
SCHEMBL29200414 0.87 KMT2A (0.66) KMT2AMEN1TP53RAB9AMAPK1
SCHEMBL30802733 0.87 KMT2A (0.66) KMT2AMEN1TP53RAB9AMAPK1
SCHEMBL30802668 0.87 KMT2A (0.65) KMT2AMEN1TP53RAB9ANPC1
SCHEMBL29200381 0.87 KMT2A (0.65) KMT2AMEN1TP53RAB9ANPC1
SCHEMBL20473774 0.86 KCNK3 (0.71) KMT2AMEN1TP53RAB9AMAPK1
SCHEMBL20473794 0.85 MEN1 (0.73) KMT2AMEN1RAB9AMAPK1NPC1
SCHEMBL30802679 0.85 KCNK3 (0.63) KMT2AMEN1RAB9AMAPK1NPC1
SCHEMBL29200449 0.85 KCNK3 (0.63) KMT2AMEN1RAB9AMAPK1NPC1

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