SCHEMBL22129389

SCHEMBL22129389

Cc1cnc(N2CC(CS(=O)(=O)O)C2)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 9/20 0.37
▸ AR P10275 2/20 0.34
▸ SMO Q99835 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KCNJ1 P48048 1/20 0.33
▸ KHK P50053 1/20 0.32
▸ P2RY12 Q9H244 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32

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
SCHEMBL22129464 0.81 SMO (0.41) SMO
SCHEMBL22153061 0.79 PDE9A (0.41) RETARSMOKDM4EALDH1A1
SCHEMBL22153065 0.77 JAK2 (0.36) RETARSMOKDM4EALDH1A1
SCHEMBL23955998 0.74 EGLN2 (0.39) RETAR
SCHEMBL23044980 0.73 MCHR1 (0.35) SMOHCRTR1HCRTR2
SCHEMBL22129474 0.69 PDE10A (0.46) —
SCHEMBL28894986 0.68 RET (0.32) RETKCNJ1
SCHEMBL19145260 0.68 ALDH1A1 (0.51) RETARKDM4EALDH1A1MAPT
SCHEMBL29227963 0.67 ACACB (0.39) KDM4ESMN1; SMN2
SCHEMBL20575496 0.67 JAK2 (0.46) RETAR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111333626-B Phenyl pyrrolidine compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-18 — — CN disclosed
CN-111333626-A Phenyl pyrrolidine compounds and uses thereof 湖北生物医药产业技术研究院有限公司 2020-06-26 — — CN disclosed
WO-2020125627-A1 PHENYLPYRROLIDINE COMPOUND AND USE THEREOF 湖北生物医药产业技术研究院有限公司 2020-06-25 — — WO disclosed
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