SCHEMBL22737402

SCHEMBL22737402

Nc1c(F)ccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 19/20 0.70
▸ DDB1 Q16531 15/20 0.70
▸ IKZF3 Q9UKT9 2/20 0.67
▸ TNF P01375 2/20 0.67
▸ IL1B P01584 1/20 0.67
▸ TBXA2R P21731 1/20 0.67
▸ IKZF1 Q13422 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.60
▸ CHRM2 P08172 1/20 0.60
▸ OPRM1 P35372 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL20437037 0.87 CRBN (0.73) CRBNDDB1IKZF3TNFIL1B
SCHEMBL30225089 0.86 CRBN (0.71) CRBNDDB1IKZF3TNFIL1B
SCHEMBL26184255 0.86 CRBN (0.71) CRBNDDB1IKZF3TNFIL1B
SCHEMBL25650345 0.86 CRBN (0.71) CRBNDDB1IKZF3TNFIL1B
SCHEMBL24718026 0.85 CRBN (0.70) CRBNDDB1IKZF3TNFIL1B
SCHEMBL19451253 0.85 CRBN (0.70) CRBNDDB1IKZF3TNFIL1B
SCHEMBL20811582 0.85 CRBN (0.73) CRBNDDB1IKZF3TNFIL1B
SCHEMBL31303010 0.85 CRBN (0.71) CRBNDDB1IKZF3TNFIL1B
SCHEMBL30189604 0.85 CRBN (0.70) CRBNDDB1IKZF3TNFIL1B
SCHEMBL24717672 0.85 CRBN (0.70) CRBNDDB1IKZF3TNFIL1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024035626-A1 HALOPHTHALIMIDE COMPOUNDS AND METHODS OF USE AGAINST TBI, INFLAMMATORY DISORDER, AUTOIMMUNE DISORDER, NEURODEGENERATIVE DISEASE OR VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-02-15 — — WO disclosed
EP-4180432-A1 COMPOUND HAVING BTK KINASE DEGRADING ACTIVITY, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREFOR Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-05-17 — — EP disclosed
WO-2022111526-A1 BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2022-06-02 — — WO disclosed
WO-2020239103-A1 BTK INHIBITOR RING DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF 四川海思科制药有限公司 2020-12-03 — — WO disclosed
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