SCHEMBL17697796

SCHEMBL17697796

CS(=O)(=O)O.NCc1ccc2c(c1)C(I)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 19/20 0.42
▸ DDB1 Q16531 15/20 0.42
▸ GSPT1 P15170 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ IKZF3 Q9UKT9 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL30496995 0.83 CRBN (0.46) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL25246941 0.83 CRBN (0.46) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL1413447 0.81 CRBN (0.61) CRBNDDB1GSPT1ALDH1A1CHRM2
SCHEMBL61608 0.79 CRBN (0.63) CRBNDDB1GSPT1IKZF3
SCHEMBL19582787 0.78 CRBN (0.62) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL23226068 0.73 CRBN (0.62) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL24827801 0.73 CRBN (0.44) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21982543 0.73 CRBN (0.41) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL4450513 0.72 CRBN (0.70) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29439978 0.72 CRBN (0.70) CRBNDDB1ALDH1A1CHRM2OPRM1

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-2749559-B1 5-substituted isoindoline compounds CELGENE CORP (US) 2016-04-27 — — EP disclosed
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