SCHEMBL24124302

SCHEMBL24124302

Nc1ccccc1CC(=O)Nc1cccc(C(=O)Nc2ccc([S+]([O-])Nc3ccccc3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
KDM4E B2RXH2 1/20 0.47
BACE1 P56817 5/20 0.46
MEN1 O00255 5/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL24124280 0.90 ANO1 (0.49) KMT2AKDM4EBACE1MEN1SMN1; SMN2
SCHEMBL24124918 0.89 KMT2A (0.46) KMT2AKDM4EBACE1MEN1MAPT
SCHEMBL24124276 0.89 KMT2A (0.46) KMT2AKDM4EBACE1MEN1MAPT
SCHEMBL24124926 0.88 KCNK3 (0.46) KMT2AKDM4EBACE1MEN1MAPT
SCHEMBL24124286 0.87 KMT2A (0.47) KMT2AKDM4EBACE1MEN1MAPT
SCHEMBL24124919 0.87 KMT2A (0.59) KMT2AKDM4EBACE1MEN1MAPT
SCHEMBL30522642 0.87 KMT2A (0.59) KMT2AKDM4EBACE1MEN1MAPT
SCHEMBL25325696 0.86 KMT2A (0.59) KMT2AKDM4EBACE1MEN1MAPT
SCHEMBL30522639 0.86 KMT2A (0.59) KMT2AKDM4EBACE1MEN1MAPT
SCHEMBL24124922 0.85 KMT2A (0.47) KMT2AKDM4EBACE1MEN1MAPT

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
WO-2021257544-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-12-23 WO disclosed