SCHEMBL31541765

SCHEMBL31541765

Nc1c(C(=O)O)cc(N2CCS(=O)(=O)CC2)nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ PKM P14618 2/20 0.38
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ MTOR P42345 1/20 0.35
▸ SHMT2 P34897 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ PIK3CB P42338 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ IP6K1 Q92551 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
SCHEMBL31541820 0.85 ALDH1A1 (0.44) KDM4EPKMLMNAMEN1USP2
SCHEMBL31541783 0.72 KDM4E (0.46) KDM4EPKMLMNAMEN1USP2
SCHEMBL31541775 0.71 KMT2A (0.43) KDM4EPKMLMNAMEN1USP2
SCHEMBL26696226 0.70 KDM4E (0.49) KDM4EMTORCNR2LMNAALDH1A1
SCHEMBL30067156 0.70 KEAP1 (0.46) KDM4EKEAP1NFE2L2LMNAALDH1A1
SCHEMBL30232992 0.69 KEAP1 (0.48) KDM4EPKMKEAP1NFE2L2LMNA
SCHEMBL535587 0.69 KEAP1 (0.48) KDM4EPKMKEAP1NFE2L2LMNA
SCHEMBL3407486 0.68 HRH4 (0.44) KDM4ECNR2LMNAMEN1KMT2A
Potassium SCHEMBL1843363 0.68 KEAP1 (0.47) KDM4EPKMKEAP1NFE2L2LMNA
SCHEMBL26040461 0.66 ALDH1A1 (0.55) KDM4EKEAP1NFE2L2DHODHMEN1

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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