SCHEMBL30994333

SCHEMBL30994333

COCOc1cc(C(F)(F)F)cc(C)c1-c1cc2cccc([Si](C(C)C)(C(C)C)C(C)C)c2nn1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 3/20 0.32
▸ CASR P41180 1/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ PDE6D O43924 1/20 0.31
▸ PDE6A P16499 1/20 0.31
▸ PDE6G P18545 1/20 0.31
▸ PDE6B P35913 1/20 0.31
▸ PDE6C P51160 1/20 0.31
▸ PDE6H Q13956 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31

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
SCHEMBL30994238 0.84 IL1B (0.41) IL1B
SCHEMBL30994100 0.79 CTSA (0.33) IL1BPDE2APDE6DPDE6APDE6G
SCHEMBL30994027 0.72 PROKR1 (0.39) IL1B
SCHEMBL30994253 0.71 IL1B (0.43) IL1B
SCHEMBL30994250 0.70 IL1B (0.39) IL1B
SCHEMBL30994382 0.70 BRD4 (0.33) IL1B
SCHEMBL30994247 0.69 IL1B (0.35) IL1B
SCHEMBL30994118 0.69 IL1B (0.32) IL1BPDE2APDE6DPDE6APDE6G
SCHEMBL30994351 0.69 IL1B (0.31) IL1B
SCHEMBL30994319 0.68 PDE2A (0.32) IL1BPDE2APDE6DPDE6APDE6G

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-4656635-A1 SUBSTITUTED BENZENE COMPOUND Daiichi Sankyo Company, Limited (JP) 2025-12-03 — — EP disclosed
WO-2024157953-A1 SUBSTITUTED BENZENE COMPOUND 第一三共株式会社 2024-08-02 — — WO disclosed
Send feedback