SCHEMBL21848734

SCHEMBL21848734

O=C1CCC(N2Cc3c(CCCCN4CCN(c5ccc(Cl)cc5)CC4)cccc3C2=O)C(=O)N1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 16/20 0.64
▸ IKZF3 Q9UKT9 13/20 0.64
▸ TNF P01375 3/20 0.50
▸ IKZF1 Q13422 2/20 0.50
▸ BRD4 O60885 1/20 0.50
▸ IL1B P01584 1/20 0.50
▸ DDB1 Q16531 1/20 0.50
▸ AKT1 P31749 2/20 0.49
▸ AKT2 P31751 2/20 0.49
▸ AKT3 Q9Y243 2/20 0.49
▸ CSNK1A1 P48729 1/20 0.48
▸ BRD3 Q15059 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
SCHEMBL21848645 0.93 CRBN (0.56) CRBNIKZF3TNFIKZF1BRD4
SCHEMBL21848740 0.93 CRBN (0.55) CRBNIKZF3TNFIKZF1BRD4
SCHEMBL23739668 0.93 CRBN (0.55) CRBNIKZF3TNFIKZF1BRD4
SCHEMBL21848733 0.92 CRBN (0.64) CRBNIKZF3TNFIKZF1BRD4
SCHEMBL21848719 0.92 CRBN (0.61) CRBNIKZF3TNFIKZF1BRD4
SCHEMBL21848632 0.91 CRBN (0.54) CRBNIKZF3TNFIKZF1BRD4
SCHEMBL21848665 0.90 CRBN (0.53) CRBNIKZF3TNFIKZF1BRD4
SCHEMBL30389463 0.90 CRBN (0.53) CRBNIKZF3TNFIKZF1BRD4
SCHEMBL21848748 0.90 CRBN (0.54) CRBNIKZF3TNFIKZF1BRD4
SCHEMBL21834938 0.90 CRBN (0.65) CRBNIKZF3TNFIKZF1BRD4

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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