SCHEMBL13935985

SCHEMBL13935985

c1ccc2c3c(ccc2c1)Sc1ccc2c4c(c5ccccc5c-3c14)-c1c(ccc3ccccc13)S2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
CYP2A6 P11509 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
WDR5 P61964 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPRT1 P00492 1/20 0.39
NQO2 P16083 2/20 0.38
HIF1A Q16665 2/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP1B1 Q16678 1/20 0.37
THRB P10828 1/20 0.37
NQO1 P15559 1/20 0.37
DNMT1 P26358 1/20 0.36
SOS1 Q07889 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL13936037 0.85 ALDH1A1 (0.41) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL10042108 0.76 ALDH1A1 (0.52) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL13936028 0.76 MEN1 (0.39) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL21436428 0.71 MAPT (0.54) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL7905100 0.71 MEN1 (0.54) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL13936029 0.71 MAPK1 (0.36) HSD17B10ALDH1A1TSHRTDP1MAPT
SCHEMBL1796145 0.67 ALDH1A1 (0.52) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL887362 0.65 GPR84 (0.50) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL15769977 0.64 TSHR (0.45) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL13935969 0.64 GPR84 (0.49) HSD17B10ALDH1A1TSHRCYP2A6TDP1

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
US-7494721-B2 Light-emitting device, condensed polycyclic compound used therein and method for producing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-02-24 US disclosed
US-7494721-B2 Light-emitting device, condensed polycyclic compound used therein and method for producing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-02-24 US disclosed