SCHEMBL6997461

SCHEMBL6997461

CCc1cc(C(=Cc2cc(OC)c(OC)c(OC)c2)C(=O)OC)n2nccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 4/20 0.38
MAPK10 P53779 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.37
APOBEC3A P31941 1/20 0.37
HSD17B10 Q99714 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37

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
SCHEMBL6997456 1.00 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL7001614 0.92 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL7001608 0.92 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL7004516 0.87 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL7004512 0.87 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL6998611 0.82 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL7003833 0.82 MEN1 (0.45) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL7003831 0.82 MEN1 (0.45) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL7005277 0.81 HTR1A (0.37) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL7005264 0.81 HTR1A (0.37) KDM4EALDH1A1SMN1; SMN2HTTMAPT

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
EP-1081149-B1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2003-04-02 EP disclosed
US-6372749-B1 PHARMACOLOGICAL EFFECTS SUCH AS ANALGESIC ACTION, INHIBITORY EFFECT ON NITROGEN MONOXIDE SYNTHETASE AND THE LIKE AND ARE USEFUL AS ANALGESICS. OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2002-04-16 US disclosed
EP-1081149-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-03-07 EP disclosed