SCHEMBL29200419

SCHEMBL29200419

O=C(Nc1cccc(CCl)c1)c1cccc(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.68
KCNK9 Q9NPC2 2/20 0.68
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
KCNQ3 O43525 1/20 0.57
KCNQ2 O43526 1/20 0.57
KCNE1 P15382 1/20 0.57
KCNQ1 P51787 1/20 0.57
KCNQ5 Q9NR82 1/20 0.57
RXFP1 Q9HBX9 1/20 0.56
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 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
SCHEMBL30802680 1.00 KCNK3 (0.68) KCNK3KCNK9NPC1RAB9AKDM4E
SCHEMBL29200428 0.95 KCNK3 (0.62) KCNK3KCNK9NPC1RAB9AKDM4E
SCHEMBL30802691 0.88 KCNK3 (0.68) KCNK3KCNK9NPC1RAB9AKDM4E
SCHEMBL29200392 0.88 KCNK3 (0.68) KCNK3KCNK9NPC1RAB9AKDM4E
SCHEMBL30802675 0.87 KDM4E (0.62) KCNK3KCNK9NPC1RAB9AKDM4E
SCHEMBL3675463 0.86 KCNK3 (0.84) KCNK3KCNK9NPC1RAB9AMEN1
SCHEMBL30802692 0.84 MEN1 (0.64) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL29200406 0.84 MEN1 (0.64) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL13671436 0.84 KMT2A (0.52) KCNK3KCNK9NPC1RAB9AMEN1
SCHEMBL29200402 0.83 MEN1 (0.74) NPC1RAB9AMEN1KMT2ATP53

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