SCHEMBL30686452

SCHEMBL30686452

N#Cc1ccc(SSc2ccc(C#N)cc2F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.38
▸ AR P10275 1/20 0.38
▸ EGLN2 Q96KS0 4/20 0.36
▸ SLC22A12 Q96S37 1/20 0.36
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ CYP2A6 P11509 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ IMPDH2 P12268 1/20 0.34
▸ IMPDH1 P20839 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL27117919 1.00 KIF11 (0.38) KIF11AREGLN2SLC22A12CYP11B1
SCHEMBL4032639 0.83 KMT2A (0.44) KIF11AREGLN2SLC22A12CYP11B1
SCHEMBL30846771 0.83 KMT2A (0.44) KIF11AREGLN2SLC22A12CYP11B1
SCHEMBL29416796 0.77 EGLN2 (0.44) KIF11EGLN2CYP11B1CYP11B2CYP2A6
SCHEMBL229147 0.77 EGLN2 (0.44) KIF11EGLN2CYP11B1CYP11B2CYP2A6
SCHEMBL27112680 0.76 SLC22A12 (0.39) KIF11ARSLC22A12CYP2A6MAOA
SCHEMBL8111127 0.76 CA2 (0.51) ARSLC22A12CA2MAOAMAOB
SCHEMBL6517303 0.74 CA12 (0.44) ARCYP2A6ALDH1A1CA12CA2
SCHEMBL6516138 0.74 SLC6A2 (0.49) AREGLN2CYP2A6ALDH1A1CA12
SCHEMBL7897191 0.74 MAOB (0.57) EGLN2ALDH1A1MAOAMAOBMEN1

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
CN-117242067-B Novel aryl ether substituted heterocycles as GLP1R agonists 杭州德睿智药科技有限公司 2025-03-25 — — CN disclosed
CN-117242067-A Novel aryl ether substituted heterocycles as GLP1R agonists 杭州德睿智药科技有限公司 2023-12-15 — — CN disclosed
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