SCHEMBL31706029

SCHEMBL31706029

COC(=O)c1nc(N2CCNCC2)cs1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ AURKA O14965 1/20 0.39
▸ HTR3A P46098 1/20 0.38
▸ CHEK1 O14757 3/20 0.38
▸ ITGA2B P08514 3/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ CASP1 P29466 1/20 0.36
▸ CASP4 P49662 1/20 0.36
▸ CASP5 P51878 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ OPRD1 P41143 1/20 0.36

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
Hydrochloric Acid SCHEMBL31706290 0.99 KDM4E (0.50) HDAC2KDM4EMEN1KMT2AHDAC1
SCHEMBL20207613 0.84 HDAC2 (0.48) HDAC2KDM4EMEN1KMT2AHDAC1
SCHEMBL31704489 0.77 CKS1B (0.47) —
SCHEMBL31704694 0.75 MAPT (0.37) KDM4EMEN1KMT2ACASP1HSD17B10
SCHEMBL15348920 0.74 CRBN (0.55) HDAC2KDM4EMEN1KMT2AHDAC3
Hydrochloric Acid SCHEMBL6707393 0.73 CRBN (0.54) HDAC2KDM4EMEN1KMT2AHDAC3
SCHEMBL31706565 0.71 TMIGD3 (0.42) HRH4HSD17B10
SCHEMBL4566530 0.71 HTR2C (0.51) KDM4EMEN1KMT2AAURKAHTR3A
SCHEMBL31705963 0.71 HTR2C (0.51) KDM4EMEN1KMT2AAURKAHTR3A
SCHEMBL31706833 0.71 HTR2C (0.51) KDM4EMEN1KMT2AAURKAHTR3A

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-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 — — WO disclosed
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