SCHEMBL20889271

SCHEMBL20889271

CC(c1cccc2scnc12)C(N)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKLR P30613 2/20 0.33
CBLB Q13191 1/20 0.33
TRPV1 Q8NER1 2/20 0.33
PRMT5 O14744 1/20 0.33
ALOX5 P09917 1/20 0.32
NAMPT P43490 2/20 0.32
CASP1 P29466 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC1A3 P43003 3/20 0.31
SLC1A2 P43004 3/20 0.31
SLC1A1 P43005 3/20 0.31
SLC7A5 Q01650 1/20 0.31
MEN1 O00255 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
SCHEMBL19682359 1.00 PKLR (0.33) PKLRCBLBTRPV1PRMT5ALOX5
SCHEMBL22627564 0.79 ALDH1A1 (0.38) CBLBTRPV1PRMT5ALDH1A1HSD17B10
SCHEMBL29793781 0.79 CYP1A2 (0.39) PKLRCBLBPRMT5ALDH1A1HSD17B10
SCHEMBL13554592 0.75 ALDH1A1 (0.41) PKLRCBLBTRPV1PRMT5NAMPT
SCHEMBL20889266 0.74 ALOX5 (0.42) ALOX5KDM4EALDH1A1SLC1A3SLC1A2
SCHEMBL20889269 0.74 PARP1 (0.46) KDM4ETDP1ALDH1A1HSD17B10MEN1
SCHEMBL19682364 0.74 PARP1 (0.46) KDM4ETDP1ALDH1A1HSD17B10MEN1
SCHEMBL19682602 0.74 ALOX5 (0.42) ALOX5KDM4EALDH1A1SLC1A3SLC1A2
SCHEMBL19682799 0.72 ALDH1A1 (0.38) CBLBTRPV1PRMT5ALDH1A1HSD17B10
SCHEMBL21812128 0.70 TRPV1 (0.41) PKLRCBLBTRPV1PRMT5NAMPT

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-3718545-A1 ANTITUMOR AGENT Taiho Pharmaceutical Co., Ltd. (JP) 2020-10-07 EP disclosed
EP-3466934-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2019-04-10 EP disclosed