SCHEMBL9685741

SCHEMBL9685741

O=c1[nH]c2ccc(-c3ccccc3)cc2s1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.71
PDE3B Q13370 5/20 0.70
PDE3A Q14432 5/20 0.70
GRIA1 P42261 4/20 0.47
CACNG8 Q8WXS5 1/20 0.47
CMA1 P23946 1/20 0.44
HTR1A P08908 1/20 0.44
HTR2C P28335 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KIF11 P52732 1/20 0.42
NPC1 O15118 1/20 0.42
PIK3CA P42336 1/20 0.41
PI4KA P42356 1/20 0.41
PI4KB Q9UBF8 1/20 0.41

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
SCHEMBL9484426 0.84 PDE3B (0.68) PGRPDE3BPDE3AGRIA1CACNG8
SCHEMBL6541883 0.83 PGR (1.00) PGRPDE3BPDE3AGRIA1CACNG8
SCHEMBL2439269 0.82 PDE3B (0.66) PGRPDE3BPDE3AGRIA1CACNG8
SCHEMBL6909727 0.80 PDE3B (0.68) PGRPDE3BPDE3APIK3CAPI4KA
SCHEMBL9685722 0.80 PDE3B (0.76) PGRPDE3BPDE3AGRIA1CACNG8
SCHEMBL11187529 0.78 PGR (0.61) PGRPDE3BPDE3AGRIA1CACNG8
SCHEMBL6541670 0.78 PGR (1.00) PGRPDE3BPDE3ASMN1; SMN2NPC1
SCHEMBL11539227 0.77 PIM1 (0.47) PGRPDE3BPDE3ATNKS2SMN1; SMN2
SCHEMBL83411 0.76 CMA1 (0.59) PGRPDE3BPDE3ACMA1HTR1A
SCHEMBL29667911 0.76 CMA1 (0.59) PGRPDE3BPDE3ACMA1HTR1A

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