SCHEMBL27320525

SCHEMBL27320525

Nc1ccc(F)c2c1C(=O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 19/20 0.67
▸ DDB1 Q16531 14/20 0.67
▸ TNF P01375 2/20 0.67
▸ IKZF3 Q9UKT9 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 0.56
▸ CHRM2 P08172 1/20 0.56
▸ OPRM1 P35372 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL20437036 0.92 CRBN (0.75) CRBNDDB1TNFIKZF3IL1B
SCHEMBL13678437 0.92 CRBN (0.77) CRBNDDB1TNFIKZF3IL1B
SCHEMBL27320500 0.87 CRBN (0.51) CRBNDDB1TNFIKZF3IL1B
SCHEMBL25650406 0.87 CRBN (0.65) CRBNDDB1TNFIKZF3IL1B
SCHEMBL19451376 0.87 CRBN (0.65) CRBNDDB1TNFIKZF3IL1B
SCHEMBL12041894 0.85 CRBN (0.68) CRBNDDB1TNFIKZF3IL1B
SCHEMBL29024775 0.85 CRBN (0.67) CRBNDDB1TNFIKZF3IL1B
SCHEMBL20934545 0.85 CRBN (0.67) CRBNDDB1TNFIKZF3IL1B
SCHEMBL30503680 0.85 CRBN (0.67) CRBNDDB1TNFIKZF3IL1B
SCHEMBL30503679 0.85 CRBN (0.67) CRBNDDB1TNFIKZF3IL1B

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
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
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