SCHEMBL27262174

SCHEMBL27262174

CCC(C=O)N1Cc2cc(CN)ccc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALOX15 P16050 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ITGB3 P05106 3/20 0.33
▸ ITGA2B P08514 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ CSNK2A3 Q8NEV1 1/20 0.33
▸ SDCBP O00560 3/20 0.32
▸ SDC2 P34741 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GAA P10253 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
SCHEMBL25742155 0.75 LMNA (0.42) MEN1KMT2AALOX15MAPTSMN1; SMN2
SCHEMBL29691298 0.74 USP1 (0.41) MEN1KMT2AMAPTITGB3ITGA2B
SCHEMBL18865618 0.74 USP1 (0.41) MEN1KMT2AMAPTITGB3ITGA2B
SCHEMBL16193397 0.73 ALOX15 (0.41) MEN1KMT2AALOX15MAPTSMN1; SMN2
SCHEMBL23482963 0.73 MAPT (0.39) MEN1KMT2AALOX15MAPTSMN1; SMN2
SCHEMBL25741843 0.73 SDCBP (0.35) MEN1KMT2AALOX15MAPTSMN1; SMN2
SCHEMBL24692214 0.71 ITGB3 (0.38) MEN1KMT2AMAPTITGB3ITGA2B
SCHEMBL22906808 0.70 ALOX15 (0.33) MEN1KMT2AALOX15MAPTSMN1; SMN2
SCHEMBL23665116 0.68 KCNH2 (0.46) MEN1KMT2AALOX15MAPTSMN1; SMN2
SCHEMBL17517148 0.68 KCNH2 (0.40) MEN1KMT2AALOX15MAPTSMN1; SMN2

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-2023201282-A1 NOVEL GSPT1 COMPOUNDS AND METHODS OF USE OF THE NOVEL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-19 — — WO disclosed
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