SCHEMBL6202559

SCHEMBL6202559

Cc1cc(C(=O)Cc2ccc(Cl)s2)c(C)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
HTR1A P08908 3/20 0.38
KDR P35968 2/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 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
SCHEMBL6204323 0.74 GSK3B (0.43) GSK3BALDH1A1KMT2ARAB9AHTR1A
SCHEMBL6788403 0.73 GSK3B (0.70) GSK3BALDH1A1KMT2AHTTRAB9A
SCHEMBL28366432 0.73 HTR1A (0.45) GSK3BKMT2AHTR1AKDRMAPT
SCHEMBL4239545 0.71 ALDH1A1 (0.50) GSK3BALDH1A1KMT2AHTTRAB9A
Methyl Alcohol SCHEMBL11791471 0.70 HPGD (0.51) GSK3BALDH1A1KMT2AHTTRAB9A
SCHEMBL3720571 0.70 GSK3B (0.46) GSK3BALDH1A1KMT2AHTR1AMAPT
SCHEMBL7472736 0.69 ALDH1A1 (0.47) GSK3BALDH1A1KMT2AHTTRAB9A
SCHEMBL192389 0.69 HPGD (0.54) GSK3BALDH1A1KMT2AHTTRAB9A
SCHEMBL24264489 0.69 LMNA (0.49) ALDH1A1KMT2AHTTRAB9AHTR1A
SCHEMBL11600908 0.68 GSK3B (0.44) GSK3BALDH1A1KMT2ARAB9AHTR1A

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
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed