SCHEMBL21847656

SCHEMBL21847656

Cc1cc(N)n(C2CCS(O)(O)C2)n1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 17/20 0.34
KCNJ3 P48549 17/20 0.34
KCNJ5 P48544 12/20 0.34
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL4900829 0.82 MAPT (0.47) KCNJ6KCNJ3KCNJ5KDM4EALDH1A1
SCHEMBL1695151 0.79 KDM4E (0.47) KCNJ6KCNJ3KCNJ5POLBKDM4E
SCHEMBL1695184 0.79 ALDH1A1 (0.44) KCNJ6KCNJ3KCNJ5POLBKDM4E
SCHEMBL14785716 0.78 POLB (0.41) POLBKDM4EALDH1A1HSD17B10
SCHEMBL1695102 0.77 KDM4E (0.50) KCNJ6KCNJ3KCNJ5POLBKDM4E
SCHEMBL1695005 0.74 GAA (0.54) POLBKDM4EALDH1A1HSD17B10
SCHEMBL11688080 0.74 MAPK1 (0.41) POLBKDM4EALDH1A1HSD17B10
SCHEMBL1694604 0.71 KCNJ6 (0.39) KCNJ6KCNJ3KCNJ5POLBKDM4E
SCHEMBL28627037 0.70 POLB (0.38) POLBKDM4EALDH1A1HSD17B10
SCHEMBL21597663 0.69 PIK3CA (0.41) KCNJ6KCNJ3KCNJ5POLB

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
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 EP disclosed