SCHEMBL29200414

SCHEMBL29200414

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.66
MEN1 O00255 7/20 0.66
TP53 P04637 3/20 0.66
RAB9A P51151 2/20 0.64
MAPK1 P28482 2/20 0.64
NPC1 O15118 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.62
PARP1 P09874 1/20 0.57
PARP2 Q9UGN5 1/20 0.57
ALDH1A1 P00352 2/20 0.56
SENP1 Q9P0U3 1/20 0.56
MAPT P10636 3/20 0.54
HPSE Q9Y251 1/20 0.53
HSP90AA1 P07900 1/20 0.53
POLB P06746 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 1/20 0.51
NR1H4 Q96RI1 1/20 0.51

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
SCHEMBL30802733 1.00 KMT2A (0.66) KMT2AMEN1TP53RAB9AMAPK1
SCHEMBL30802692 0.87 MEN1 (0.64) KMT2AMEN1TP53RAB9ANPC1
SCHEMBL29200406 0.87 MEN1 (0.64) KMT2AMEN1TP53RAB9ANPC1
SCHEMBL30802709 0.87 KMT2A (0.68) KMT2AMEN1TP53RAB9AMAPK1
SCHEMBL30802675 0.87 KDM4E (0.62) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL29200427 0.87 KMT2A (0.68) KMT2AMEN1TP53RAB9AMAPK1
SCHEMBL21449753 0.85 KMT2A (0.70) KMT2AMEN1TP53RAB9AMAPK1
SCHEMBL29200457 0.82 KDM4E (0.57) KMT2AMEN1RAB9ANPC1PARP1
SCHEMBL31505239 0.81 NPC1 (0.60) KMT2AMEN1TP53RAB9AMAPK1
SCHEMBL29200430 0.81 KMT2A (0.72) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT

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