SCHEMBL18975485

SCHEMBL18975485

O=CCCC(C=O)N1Cc2c(OCc3nc(CN4CCOCC4)cs3)cccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 5/20 0.38
▸ IL1B P01584 3/20 0.38
▸ CRBN Q96SW2 2/20 0.38
▸ IKZF1 Q13422 1/20 0.38
▸ DDB1 Q16531 1/20 0.38
▸ IKZF3 Q9UKT9 1/20 0.38
▸ EPHB4 P54760 2/20 0.37
▸ EPHA2 P29317 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CXCR4 P61073 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CASP1 P29466 1/20 0.30

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
SCHEMBL20169760 0.84 CRBN (0.53) TNFIL1BCRBNIKZF1DDB1
SCHEMBL18975490 0.81 CRBN (0.51) TNFIL1BCRBNIKZF1DDB1
SCHEMBL2249883 0.78 EPHB4 (0.39) TNFIL1BCRBNIKZF1DDB1
SCHEMBL20880770 0.76 CRBN (0.54) TNFIL1BCRBNIKZF1DDB1
SCHEMBL19069052 0.74 POLB (0.41) TNFIL1BCRBNIKZF1DDB1
SCHEMBL2247902 0.73 CRBN (0.72) TNFIL1BCRBNIKZF1DDB1
SCHEMBL23934591 0.73 PTGS2 (0.42) —
SCHEMBL23739743 0.73 HTR2A (0.33) CRBNIKZF3SMN1; SMN2MEN1ALDH1A1
SCHEMBL18975818 0.73 CRBN (0.34) TNFIL1BCRBNIKZF1DDB1
SCHEMBL16768202 0.72 CRBN (0.61) TNFIL1BCRBNIKZF1DDB1

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
EP-2536706-B1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2017-06-14 — — EP disclosed
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