SCHEMBL5807948

SCHEMBL5807948

CC1Cc2cc(C=CC#N)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ DYRK2 Q92630 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ FDPS P14324 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP11B2 P19099 2/20 0.36
▸ ENPP2 Q13822 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
SCHEMBL5807946 1.00 RAB9A (0.46) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL10727181 0.76 TDP1 (0.55) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL22013648 0.75 TDP1 (0.58) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL8688431 0.73 TDP1 (0.51) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL11701200 0.71 KDM4E (0.38) KDM4EFDPSALDH1A1GAAENPP2
Alcohol SCHEMBL10821598 0.71 TDP1 (0.52) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL15667344 0.69 TDP1 (0.57) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL318360 0.69 TDP1 (0.57) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL15667383 0.69 TDP1 (0.57) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL1102248 0.68 CYP3A4 (0.61) RAB9ANPC1TDP1MAPTMAPK1

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-2006027680-A1 3-(1-CARBAMOYLCYCLOHEXYL) PROPIONIC ACID DERIVATIVES AS INHIBITORS OF NEUTRAL ENDOPEPTIDASE ENZYME PFIZER LIMITED (GB) 2006-03-16 — — WO disclosed
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