SCHEMBL7471684

SCHEMBL7471684

Cc1cc(OCc2ccc(-c3c(C#N)cc(C)n3C)cc2)c2ccccc2n1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADAM17 P78536 1/20 0.44
XDH P47989 2/20 0.41
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7579266 0.88 MAPT (0.47) MAPTTSHRRECQLNPSR1ADAM17
SCHEMBL7474692 0.78 AGTR1 (0.43) ADAM17AGTR1AGTR2
SCHEMBL1564276 0.78 HTT (0.59) MAPTADAM17STAT3HTTSMN1; SMN2
SCHEMBL7410625 0.75 ADAM17 (0.42) MAPTTSHRRECQLNPSR1ADAM17
SCHEMBL7410622 0.75 ADAM17 (0.42) MAPTTSHRRECQLNPSR1ADAM17
SCHEMBL7419501 0.73 AGTR1 (0.42) MAPTTSHRRECQLNPSR1ADAM17
SCHEMBL7419504 0.73 ADAM17 (0.41) MAPTTSHRRECQLNPSR1ADAM17
SCHEMBL9178138 0.72 AGTR1 (0.63) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9175717 0.70 ADAM17 (0.52) ADAM17AGTR1AGTR2
SCHEMBL7466358 0.69 AGTR1 (0.44) ADAM17AGTR1AGTR2SMN1; SMN2

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
WO-1993016071-A1 HETEROCYCLIC DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-19 WO disclosed