SCHEMBL21848735

SCHEMBL21848735

O=C1CCC(N2Cc3c(CCCCN4CCN(c5c(Cl)cccc5Cl)CC4)cccc3C2=O)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 18/20 0.53
▸ IKZF3 Q9UKT9 16/20 0.53
▸ DDB1 Q16531 4/20 0.51
▸ TNF P01375 3/20 0.51
▸ IKZF1 Q13422 2/20 0.51
▸ BRD4 O60885 1/20 0.51
▸ IL1B P01584 1/20 0.51
▸ CSNK1A1 P48729 1/20 0.49
▸ DRD2 P14416 1/20 0.47
▸ ADRA1D P25100 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ ADRA1B P35368 1/20 0.47

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
SCHEMBL21848659 0.99 CRBN (0.52) CRBNIKZF3DDB1TNFIKZF1
SCHEMBL21848649 0.92 CRBN (0.54) CRBNIKZF3DDB1TNFIKZF1
SCHEMBL23739588 0.91 CRBN (0.52) CRBNIKZF3DDB1TNFIKZF1
SCHEMBL21848724 0.90 CRBN (0.52) CRBNIKZF3DDB1TNFIKZF1
SCHEMBL21848747 0.90 CRBN (0.52) CRBNIKZF3DDB1TNFIKZF1
SCHEMBL21848645 0.89 CRBN (0.56) CRBNIKZF3DDB1TNFIKZF1
SCHEMBL21848734 0.89 CRBN (0.64) CRBNIKZF3DDB1TNFIKZF1
SCHEMBL21848644 0.89 CRBN (0.65) CRBNIKZF3DDB1DRD2ADRA1D
SCHEMBL21848632 0.89 CRBN (0.54) CRBNIKZF3DDB1TNFIKZF1
SCHEMBL23739668 0.88 CRBN (0.55) CRBNIKZF3DDB1TNFIKZF1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3862348-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-08-11 — — EP disclosed
WO-2020064002-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2020-04-02 — — WO disclosed
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