SCHEMBL7326781

SCHEMBL7326781

CCOC(=O)c1ccc(N2CCOCC2)c2cccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 2/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 3/20 0.52
GAA P10253 3/20 0.50
MAPT P10636 3/20 0.50
PIK3CA P42336 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
LMNA P02545 2/20 0.48
SLC40A1 Q9NP59 1/20 0.47
PIK3R1 P27986 1/20 0.47
MTOR P42345 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL30744996 0.91 USP2 (0.53) USP2MAPK1TP53RECQLHSD17B10
SCHEMBL7324851 0.81 RPS6KB1 (0.59) SLC40A1ALDH1A1KDM4E
SCHEMBL18120523 0.80 MAPK1 (0.53) USP2MAPK1TP53RECQLHSD17B10
SCHEMBL18394828 0.79 USP2 (0.58) USP2MAPK1TP53RECQLHSD17B10
SCHEMBL18395687 0.79 L3MBTL1 (0.57) USP2MAPK1TP53RECQLHSD17B10
SCHEMBL13219649 0.77 HTT (0.51) SMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL15161250 0.77 SLC40A1 (0.55) USP2RECQLGAAMAPTPIK3CA
SCHEMBL6609202 0.76 GAA (0.59) TP53RECQLHSD17B10POLBGAA
SCHEMBL30744816 0.75 KDM4E (0.57) MAPK1POLBGAAMAPTPIK3CA
SCHEMBL31467097 0.74 ELANE (0.49) TP53MAPTL3MBTL1ALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4933447-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS SS PHARMACEUTICAL CO., LTD. (JP) 1990-06-12 US claimed
US-4933447-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS SS PHARMACEUTICAL CO., LTD. (JP) 1990-06-12 US disclosed
EP-0308897-A1 Quinoline derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1989-03-29 EP disclosed