SCHEMBL15947463

SCHEMBL15947463

CCS(=O)(=O)c1cccnc1-c1nc2ccc(C(F)(F)F)cc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 6/20 0.42
ALDH1A1 P00352 3/20 0.37
HSPD1 P10809 2/20 0.37
PTPN2 P17706 2/20 0.37
PTPN1 P18031 2/20 0.37
PTPN5 P54829 2/20 0.37
HSPE1 P61604 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
UTRN P46939 3/20 0.36
TLR9 Q9NR96 1/20 0.36
GAA P10253 1/20 0.36
NAAA Q02083 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL15933541 0.91 UTRN (0.42) DDR1ALDH1A1HSPD1PTPN2PTPN1
SCHEMBL29431584 0.91 UTRN (0.42) DDR1ALDH1A1HSPD1PTPN2PTPN1
SCHEMBL17342178 0.85 UTRN (0.41) ALDH1A1HSPD1PTPN2PTPN1PTPN5
SCHEMBL15933392 0.83 UTRN (0.42) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL29431585 0.83 UTRN (0.42) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL29431583 0.83 DDR1 (0.36) DDR1SMN1; SMN2S1PR1
SCHEMBL15933389 0.83 DDR1 (0.36) DDR1SMN1; SMN2S1PR1
SCHEMBL15947491 0.82 PTPN2 (0.39) ALDH1A1HSPD1PTPN2PTPN1PTPN5
SCHEMBL15947462 0.79 ALDH1A1 (0.38) DDR1ALDH1A1KDM4EHPGDNPC1
SCHEMBL15846770 0.79 UTRN (0.47) ALDH1A1NPC1TP53PKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2955178-A1 CONDENSED HETEROCYCLIC COMPOUND Sumitomo Chemical Company Limited (JP) 2015-12-16 EP disclosed
WO-2014123205-A1 CONDENSED HETEROCYCLIC COMPOUND 住友化学株式会社 (JP) 2014-08-14 WO disclosed