SCHEMBL7006633

SCHEMBL7006633

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 5/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
POLB P06746 2/20 0.36
ALOX5 P09917 5/20 0.34
SMPD3 Q9NY59 1/20 0.34
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
AKR1C3 P42330 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7006630 1.00 MEN1 (0.37) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL7003831 0.93 MEN1 (0.45) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL7003833 0.93 MEN1 (0.45) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL7002781 0.82 CCNT1 (0.39) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL7002779 0.82 CCNT1 (0.39) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL7005277 0.82 HTR1A (0.37) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL7005264 0.82 HTR1A (0.37) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL7004692 0.79 CDK7 (0.38) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL7004689 0.79 CDK7 (0.38) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL6998414 0.79 CDK7 (0.39) MEN1KMT2AKDM4EALDH1A1CCNT1

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