SCHEMBL9684898

SCHEMBL9684898

O=c1[nH]c2ccc(Cc3cccs3)cc2s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.43
HTR2C P28335 5/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
PGR P06401 2/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARP1 P09874 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
SCHEMBL9205683 0.78 HTR1A (0.53) HTR1AHTR2CPDE3BPDE3APGR
SCHEMBL9685648 0.74 CMA1 (0.56) HTR1AHTR2CPDE3BPDE3APGR
SCHEMBL9686038 0.74 ALDH1A1 (0.51) HTR1AHTR2CPDE3BPDE3APGR
SCHEMBL9685633 0.73 KIF11 (0.51) HTR1AHTR2CPDE3BPDE3APGR
SCHEMBL9686113 0.73 PGR (0.50) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL7767398 0.73 PDE3B (0.50) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL9204486 0.73 MAPT (0.59) HTR1AHTR2CPDE3BPDE3APGR
SCHEMBL7765507 0.73 PDE3B (0.50) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL9685616 0.72 HTR1A (0.60) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL9685728 0.71 PDE3B (0.69) HTR1AHTR2CPDE3BPDE3AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 US disclosed