SCHEMBL31541775

SCHEMBL31541775

COC(=O)c1cc(N2CCS(=O)(=O)CC2)nc(Cl)c1C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ LMNA P02545 2/20 0.35
▸ AURKA O14965 1/20 0.35
▸ OPRK1 P41145 1/20 0.32
▸ NQO2 P16083 2/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32

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
SCHEMBL31541783 0.84 KDM4E (0.46) KMT2AKDM4EMEN1ALDH1A1USP2
SCHEMBL31541820 0.84 ALDH1A1 (0.44) KMT2AKDM4EMEN1ALDH1A1USP2
SCHEMBL31541780 0.84 KDM4E (0.39) KMT2AKDM4EMEN1ALDH1A1USP2
SCHEMBL31541836 0.75 ALDH1A1 (0.53) KMT2AKDM4EMEN1ALDH1A1USP2
SCHEMBL26604442 0.75 KDM4E (0.46) KMT2AKDM4EMEN1ALDH1A1USP2
SCHEMBL30662910 0.75 KDM4E (0.46) KMT2AKDM4EMEN1ALDH1A1USP2
SCHEMBL31541784 0.72 ALDH1A1 (0.46) KMT2AKDM4EMEN1ALDH1A1USP2
SCHEMBL31541765 0.71 KDM4E (0.39) KMT2AKDM4EMEN1ALDH1A1USP2
SCHEMBL26604506 0.70 ALDH1A1 (0.53) KMT2AKDM4EMEN1ALDH1A1USP2
SCHEMBL23455613 0.69 ALDH1A1 (0.58) KMT2AKDM4EALDH1A1LMNAMAPT

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-2025090809-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2025-05-01 — — WO disclosed
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