SCHEMBL29200449

SCHEMBL29200449

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.63
NHERF1 O14745 2/20 0.63
KDM4E B2RXH2 1/20 0.62
GAA P10253 1/20 0.62
PARP1 P09874 1/20 0.58
PARP2 Q9UGN5 1/20 0.58
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
ALOX12 P18054 1/20 0.55
MAPK1 P28482 1/20 0.55
POLB P06746 1/20 0.55
SENP8 Q96LD8 1/20 0.55

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
SCHEMBL30802679 1.00 KCNK3 (0.63) KCNK3NHERF1KDM4EGAAPARP1
SCHEMBL30802675 0.88 KDM4E (0.62) KCNK3KDM4EGAAPARP1PARP2
SCHEMBL30802691 0.87 KCNK3 (0.68) KCNK3NHERF1KDM4ENPC1RAB9A
SCHEMBL29200392 0.87 KCNK3 (0.68) KCNK3NHERF1KDM4ENPC1RAB9A
SCHEMBL20473774 0.86 KCNK3 (0.71) KCNK3NPC1RAB9AMEN1KMT2A
SCHEMBL5937462 0.85 MEN1 (0.65) NHERF1KDM4ENPC1RAB9AMEN1
SCHEMBL30802709 0.85 KMT2A (0.68) PARP1PARP2NPC1RAB9AMEN1
SCHEMBL20473794 0.85 MEN1 (0.73) KCNK3NPC1RAB9AMEN1KMT2A
SCHEMBL29200427 0.85 KMT2A (0.68) PARP1PARP2NPC1RAB9AMEN1
SCHEMBL5335860 0.84 KMT2A (0.62) KCNK3NPC1RAB9AMEN1KMT2A

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