SCHEMBL27118151

SCHEMBL27118151

COc1cc2c(cc1Br)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1cc(Cl)cc(Cl)c1)SC2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 11/20 0.40
▸ PTGS1 P23219 7/20 0.40
▸ PDE7A Q13946 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ LMNA P02545 1/20 0.31
▸ HTR2A P28223 2/20 0.30
▸ HTR2C P28335 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL30759633 1.00 PTGS2 (0.40) PTGS2PTGS1PDE7APDE3APDE10A
SCHEMBL27118272 0.87 PTGS2 (0.38) PTGS2PTGS1PDE7APDE3APDE10A
SCHEMBL30759516 0.86 PTGS2 (0.42) PTGS2PTGS1HTR2AHTR2CALDH1A1
SCHEMBL27118042 0.86 PTGS2 (0.42) PTGS2PTGS1HTR2AHTR2CALDH1A1
SCHEMBL27118935 0.85 PDE7A (0.38) PDE7APDE3APDE10ALMNAALDH1A1
SCHEMBL30759620 0.85 PDE7A (0.40) PDE7APDE3APDE10ALMNAALDH1A1
SCHEMBL30759622 0.85 PDE7A (0.40) PDE7APDE3APDE10ALMNAALDH1A1
SCHEMBL27119529 0.85 PDE7A (0.40) PDE7APDE3APDE10ALMNAALDH1A1
SCHEMBL30759559 0.83 PTGS2 (0.35) PTGS2PTGS1PDE7APDE3APDE10A
SCHEMBL30759534 0.83 PDE7A (0.35) PTGS2PTGS1PDE7APDE3APDE10A

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
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 — — WO disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 — — WO disclosed
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