SCHEMBL16454553

SCHEMBL16454553

c1ccc2sc(SN3CCOCC3)nc2c1.c1ccc2sc(SNC3CCCCC3)nc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.72
HPGD P15428 4/20 0.72
TDP1 Q9NUW8 1/20 0.72
HSD17B10 Q99714 3/20 0.70
PKM P14618 2/20 0.70
KDM4E B2RXH2 2/20 0.70
ALOX15 P16050 1/20 0.70
TXN P10599 1/20 0.46
MAPK1 P28482 2/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
TSHR P16473 2/20 0.44
MAOB P27338 1/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL29658287 0.85 ALDH1A1 (1.00) ALDH1A1HPGDTDP1HSD17B10KDM4E
SCHEMBL80270 0.85 ALDH1A1 (1.00) ALDH1A1HPGDTDP1HSD17B10KDM4E
SCHEMBL10714830 0.84 ALDH1A1 (0.97) ALDH1A1HPGDTDP1HSD17B10KDM4E
SCHEMBL29404281 0.84 ALDH1A1 (1.00) ALDH1A1HPGDTDP1HSD17B10PKM
SCHEMBL11445594 0.84 ALDH1A1 (0.97) ALDH1A1HPGDTDP1HSD17B10PKM
SCHEMBL79658 0.84 ALDH1A1 (1.00) ALDH1A1HPGDTDP1HSD17B10PKM
SCHEMBL8462668 0.81 ALDH1A1 (0.70) ALDH1A1HPGDTDP1HSD17B10PKM
SCHEMBL22607683 0.79 ALDH1A1 (0.87) ALDH1A1HPGDTDP1HSD17B10KDM4E
SCHEMBL2187148 0.79 ALDH1A1 (0.75) ALDH1A1HPGDTDP1HSD17B10PKM
SCHEMBL29003989 0.79 ALDH1A1 (0.86) ALDH1A1HPGDTDP1HSD17B10PKM

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
US-8957182-B2 Polyarylene sulfide resin with excellent luminosity and preparation method thereof SK CHEMICALS CO., LTD. (KR) 2015-02-17 US claimed