SCHEMBL28894986

SCHEMBL28894986

Cc1cnc(CN2CC(S(=O)(=O)O)C2)cc1C#N

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.32
▸ KCNJ1 P48048 7/20 0.32
▸ KDM1A O60341 8/20 0.32
▸ MBOAT4 Q96T53 3/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ ABCB11 O95342 1/20 0.31
▸ POU2F2 P09086 1/20 0.31
▸ POU2F1 P14859 1/20 0.31
▸ SLC47A1 Q96FL8 1/20 0.31

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
SCHEMBL28422546 0.81 S1PR1 (0.35) —
SCHEMBL28540951 0.73 MCHR1 (0.34) —
SCHEMBL28427006 0.69 PDE2A (0.38) —
SCHEMBL22129389 0.68 RET (0.37) RETKCNJ1
SCHEMBL25786963 0.67 MBOAT4 (0.37) MBOAT4
SCHEMBL25537805 0.66 CTSK (0.41) MBOAT4
SCHEMBL28910792 0.64 KCNH2 (0.42) MBOAT4KCNH2
SCHEMBL22153061 0.62 PDE9A (0.41) RET
SCHEMBL23486603 0.62 KDM1A (0.35) KDM1AMBOAT4
SCHEMBL22153065 0.62 JAK2 (0.36) RETKCNH2

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-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
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