SCHEMBL27985096

SCHEMBL27985096

CC(CCS(N)(=O)=O)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CFTR P13569 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ GOPC Q9HD26 1/20 0.40
▸ KCNA5 P22460 1/20 0.38
▸ AGTR2 P50052 1/20 0.38
▸ TBXAS1 P24557 3/20 0.38

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
SCHEMBL27316010 0.81 CFTR (0.40) ALDH1A1L3MBTL1SMN1; SMN2LMNACFTR
SCHEMBL2604881 0.78 SLC6A2 (0.46) L3MBTL1SMN1; SMN2LMNAKDM4ECFTR
SCHEMBL29786276 0.78 SLC6A2 (0.46) L3MBTL1SMN1; SMN2LMNAKDM4ECFTR
SCHEMBL11337414 0.76 CFTR (0.47) L3MBTL1SMN1; SMN2LMNAKDM4ECFTR
SCHEMBL20098043 0.76 CFTR (0.57) L3MBTL1SMN1; SMN2KDM4ECFTRSLC6A2
SCHEMBL24919838 0.76 CFTR (0.47) L3MBTL1SMN1; SMN2LMNAKDM4ECFTR
SCHEMBL21770565 0.76 CFTR (0.47) L3MBTL1SMN1; SMN2LMNAKDM4ECFTR
SCHEMBL23689571 0.76 CFTR (0.47) L3MBTL1SMN1; SMN2LMNAKDM4ECFTR
SCHEMBL3265767 0.76 CYP2A6 (0.47) L3MBTL1SMN1; SMN2LMNAKDM4ECFTR
SCHEMBL2420685 0.75 SMN1; SMN2 (0.47) L3MBTL1SMN1; SMN2LMNAKDM4ECFTR

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-105705167-A Bioconjugates of synthetic APELIN polypeptides 诺华股份有限公司 2016-06-22 — — CN disclosed
CN-104220452-A Synthetic APELIN mimetics for treatment of heart failure NOVARTIS AG 2014-12-17 — — CN disclosed
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