SCHEMBL7003833

SCHEMBL7003833

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
AKR1C2 P52895 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
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 5/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
HTR1A P08908 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
TERT O14746 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
SCHEMBL7003831 1.00 MEN1 (0.45) MEN1KMT2APOLBAKR1C2CCNT1
SCHEMBL7006630 0.93 MEN1 (0.37) MEN1KMT2APOLBAKR1C2CCNT1
SCHEMBL7006633 0.93 MEN1 (0.37) MEN1KMT2APOLBAKR1C2CCNT1
SCHEMBL7005264 0.89 HTR1A (0.37) MEN1KMT2APOLBCCNT1CDK7
SCHEMBL7005277 0.89 HTR1A (0.37) MEN1KMT2APOLBCCNT1CDK7
SCHEMBL7004692 0.87 CDK7 (0.38) MEN1KMT2APOLBCCNT1CDK7
SCHEMBL7004689 0.87 CDK7 (0.38) MEN1KMT2APOLBCCNT1CDK7
SCHEMBL6998414 0.86 CDK7 (0.39) MEN1KMT2APOLBCCNT1CDK7
SCHEMBL6998419 0.86 CDK7 (0.39) MEN1KMT2APOLBCCNT1CDK7
SCHEMBL6998422 0.86 CDK7 (0.39) MEN1KMT2APOLBCCNT1CDK7

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