SCHEMBL5605583

SCHEMBL5605583

Nc1cc2cc3cc(N)c(S)cc3cc2cc1S

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HBB P68871 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL5606152 1.00 PTK2 (0.33) PTK2ALDH1A1CYP3A4ALOX15CASP1
SCHEMBL5605883 0.97 PTK2 (0.35) PTK2
SCHEMBL5605484 0.97 PTK2 (0.35) PTK2
SCHEMBL2200135 0.80 IDO1 (0.45) ALDH1A1CYP3A4ALOX15CASP1CASP7
SCHEMBL31157823 0.80 IDO1 (0.45) ALDH1A1CYP3A4ALOX15CASP1CASP7
SCHEMBL718735 0.79 PTK2 (0.43) PTK2CYP3A4TDP1
Hydrochloric Acid SCHEMBL6674602 0.76 PTK2 (0.40) PTK2
SCHEMBL716693 0.76 PTK2 (0.50) PTK2
Hydrochloric Acid SCHEMBL42653 0.76 PTK2 (0.40) PTK2
SCHEMBL5605593 0.75 PTK2 (0.58) PTK2ALDH1A1CYP3A4ALOX15CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1462470-B1 Dielectric films and materials therefor DAICEL CHEM (JP) 2007-08-29 EP disclosed
US-20060241275-A1 Dielectric films and materials therefor NAGANO SHINYA 2006-10-26 US disclosed
US-7090925-B2 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-08-15 US disclosed
US-20040192880-A1 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-30 US disclosed
EP-1462470-A1 Dielectric films and materials therefor Daicel Chemical Industries, Ltd. (JP) 2004-09-29 EP disclosed