SCHEMBL687455

SCHEMBL687455

CNc1[nH]ncc1-c1nc2ccc(S(C)(=O)=O)cc2s1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ILK Q13418 10/20 0.62
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACP1 P24666 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL2165278 0.77 ILK (1.00) ILKKDM4EALDH1A1MEN1KMT2A
SCHEMBL687507 0.76 ILK (1.00) ILK
SCHEMBL2247189 0.71 MEN1 (0.58) ILKKDM4EALDH1A1MEN1KMT2A
SCHEMBL1747940 0.70 MEN1 (0.59) ILKKDM4EALDH1A1MEN1KMT2A
SCHEMBL686963 0.69 ILK (1.00) ILK
SCHEMBL687122 0.69 ILK (0.74) ILK
SCHEMBL687454 0.69 ILK (0.52) ILKKDM4EALDH1A1MEN1KMT2A
SCHEMBL4807748 0.69 MAPT (0.59) ILKKDM4EALDH1A1HPGDNPC1
SCHEMBL13816496 0.69 APP (0.63) ILKKDM4EALDH1A1MEN1KMT2A
SCHEMBL4584286 0.68 ALDH1A1 (0.56) ILKKDM4EALDH1A1MEN1KMT2A

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
EP-1542997-B1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA CANADA INC (CA) 2012-02-29 EP disclosed