SCHEMBL6998611

SCHEMBL6998611

CCCCc1cc(C(=Cc2cc(OC)c(OC)c(OCc3ccccc3)c2)C(=O)OC)n2nccc2n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCHE P06276 1/20 0.36
APP P05067 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 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
SCHEMBL7001608 0.86 KDM4E (0.45) ALDH1A1SMN1; SMN2KDM4EMAPTHTT
SCHEMBL7001614 0.86 KDM4E (0.45) ALDH1A1SMN1; SMN2KDM4EMAPTHTT
SCHEMBL7003833 0.85 MEN1 (0.45) ALDH1A1SMN1; SMN2KDM4EMAPTHTT
SCHEMBL7003831 0.85 MEN1 (0.45) ALDH1A1SMN1; SMN2KDM4EMAPTHTT
SCHEMBL6997456 0.82 KDM4E (0.46) ALDH1A1SMN1; SMN2KDM4EMAPTHTT
SCHEMBL6997461 0.82 KDM4E (0.46) ALDH1A1SMN1; SMN2KDM4EMAPTHTT
SCHEMBL7005277 0.82 HTR1A (0.37) ALDH1A1SMN1; SMN2KDM4EMAPTHTT
SCHEMBL7005264 0.82 HTR1A (0.37) ALDH1A1SMN1; SMN2KDM4EMAPTHTT
SCHEMBL6998608 0.82 ABCB1 (0.39) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL7006630 0.78 MEN1 (0.37) ALDH1A1SMN1; SMN2KDM4EMAPTHTT

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