SCHEMBL29538892

SCHEMBL29538892

COc1cc2c(cc1C#N)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1ccsc1)CO2

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ NR3C2 P08235 1/20 0.30
▸ AR P10275 1/20 0.30
▸ SUV39H2 Q9H5I1 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
SCHEMBL16377735 1.00 PDE7A (0.31) PDE7APDE3APDE10ANR3C2AR
SCHEMBL17375308 0.93 PDE7A (0.30) PDE7APDE3APDE10A
SCHEMBL17382001 0.91 — —
SCHEMBL17382000 0.90 — —
SCHEMBL17382003 0.90 — —
SCHEMBL19321679 0.90 — —
SCHEMBL16334006 0.90 PDE7A (0.32) PDE7APDE3APDE10A
SCHEMBL29539301 0.90 PDE7A (0.32) PDE7APDE3APDE10A
SCHEMBL20988827 0.90 PDE7A (0.32) PDE7APDE3APDE10A
SCHEMBL29538471 0.90 PDE7A (0.32) PDE7APDE3APDE10A

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
CN-106573937-B Pyrazole compounds as FSHR modulators and uses thereof 阿瑞斯贸易股份公司 2022-02-11 — — CN disclosed
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