SCHEMBL10765448

SCHEMBL10765448

COc1ccc(S(C)(=O)=O)cc1-c1nc2cc(C#N)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.44
▸ MAPK10 P53779 1/20 0.43
▸ CDK4 P11802 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCND3 P30281 1/20 0.41
▸ NPBWR1 P48145 1/20 0.40
▸ NR1I2 O75469 3/20 0.39
▸ SLC6A9 P48067 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ AMY1A P0DUB6 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SCD O00767 3/20 0.39
▸ F7 P08709 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ HTR6 P50406 1/20 0.39

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
SCHEMBL11021893 0.91 ATR (0.44) ATRMAPK10CDK4CCNA2CCND1
SCHEMBL11021898 0.83 ATR (0.53) ATRCDK4CCNA2CCND1CDK2
SCHEMBL11022213 0.82 ATR (0.44) ATRNPBWR1SLC6A9SCDCYP11B1
SCHEMBL6508250 0.82 RHEB (0.47) MAPK10AMY1AF7
SCHEMBL11020313 0.82 CA2 (0.54) ATRMAPK10AMY1A
SCHEMBL10763275 0.81 MAPK10 (0.42) MAPK10SCD
SCHEMBL10764183 0.80 MAPK10 (0.41) MAPK10AMY1AF7
SCHEMBL10765137 0.80 ATR (0.57) ATRNPBWR1SCD
SCHEMBL11016112 0.80 SCN9A (0.42) MAPK10SMN1; SMN2
SCHEMBL11018857 0.80 MAPT (0.44) ATRMAPK10AMY1A

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-0209707-A2 2-Aryl imidazoles, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-01-28 — — EP disclosed
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