SCHEMBL7308078

SCHEMBL7308078

CCOC(=O)CCCNc1ccc(OC)cc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
TOP2A P11388 1/20 0.44
PTGER4 P35408 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CD38 P28907 1/20 0.40

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
SCHEMBL10488011 0.86 SMN1; SMN2 (0.46) KDM4EMAPTTDP1TSHRALDH1A1
SCHEMBL7301777 0.82 TOP2A (0.53) KDM4EMAPTTOP2ATDP1LTA4H
SCHEMBL5262043 0.80 ALDH1A1 (0.45) KDM4EMAPTALDH1A1GAA
SCHEMBL7300293 0.78 MEN1 (0.49) KDM4EMAPTTOP2ATDP1ALDH1A1
SCHEMBL11317541 0.78 MAPT (0.54) KDM4EMAPTTOP2ALTA4HALDH1A1
SCHEMBL9830719 0.77 ALDH1A1 (0.54) KDM4EMAPTTDP1TSHRALDH1A1
SCHEMBL9432244 0.76 MAPT (0.41) KDM4EMAPTALDH1A1GAACD38
SCHEMBL9432247 0.76 MAPT (0.41) KDM4EMAPTALDH1A1GAACD38
SCHEMBL10487877 0.76 SMN1; SMN2 (0.46) KDM4EMAPTTDP1TSHRALDH1A1
SCHEMBL688699 0.76 ALDH1A1 (0.58) KDM4EMAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304560-A Treating CNS disorders; dopamine receptor antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-19 US disclosed
EP-0481342-A1 Quinazoline derivatives and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed