SCHEMBL29538543

SCHEMBL29538543

COc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3(C)C)nn1-c1ccsc1)CO2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 1/20 0.35
▸ F2RL1 P55085 2/20 0.34
▸ SUV39H2 Q9H5I1 4/20 0.32
▸ UGCG Q16739 1/20 0.31
▸ RET P07949 1/20 0.31
▸ IMPDH2 P12268 1/20 0.31
▸ TXK P42681 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ BTK Q06187 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
SCHEMBL16377979 1.00 SPR (0.35) SPRF2RL1SUV39H2UGCGRET
SCHEMBL16377964 0.93 SPR (0.34) SPRSUV39H2RETIMPDH2
SCHEMBL16378004 0.92 UGCG (0.33) UGCGTXKJAK3BTK
SCHEMBL16377963 0.91 F2RL1 (0.35) SPRF2RL1SUV39H2UGCGIMPDH2
SCHEMBL16377947 0.90 UGCG (0.33) UGCG
SCHEMBL29538748 0.86 — —
SCHEMBL17382135 0.86 — —
SCHEMBL22626262 0.84 SUV39H2 (0.30) SUV39H2
SCHEMBL16377721 0.84 UGCG (0.31) UGCG
SCHEMBL24519349 0.84 SUV39H2 (0.30) SUV39H2

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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