SCHEMBL7415901

SCHEMBL7415901

CCCc1cc(OCc2ccc(-n3cc(Cl)cc3C#N)cc2)c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.40
AGTR1 P30556 2/20 0.40
AGTR2 P50052 1/20 0.40
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
IKBKE Q14164 1/20 0.36
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL7418072 0.93 AGTR1 (0.47) AGTR1AGTR2LMNAMAPTHTT
SCHEMBL7410625 0.87 ADAM17 (0.42) LMNAMAPTHTTSMN1; SMN2L3MBTL1
SCHEMBL7421729 0.82 RAB9A (0.39) LMNAMAPTHTTSMN1; SMN2L3MBTL1
SCHEMBL7467651 0.81 AGTR1 (0.43) AGTR1AGTR2LMNAMAPTHTT
SCHEMBL7415898 0.74 AGTR1 (0.45) BCAT2AGTR1AGTR2KDM4C
SCHEMBL7850138 0.74 MAPT (0.46) AGTR1AGTR2MAPTKDM4E
SCHEMBL7464057 0.73 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9182577 0.72 KDM4E (0.56) AGTR1AGTR2SMN1; SMN2KDM4E
SCHEMBL9181083 0.70 KDM4E (0.50) AGTR1AGTR2LMNAMAPTSMN1; SMN2
SCHEMBL19732877 0.69 AGTR1 (0.47) AGTR1AGTR2LMNAMAPTHTT

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