SCHEMBL30729663

SCHEMBL30729663

c1cc2ccc3cccc4sc(c1)c2c34

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
HSD17B10 Q99714 5/20 0.56
TSHR P16473 5/20 0.56
HPGD P15428 4/20 0.56
CYP3A4 P08684 3/20 0.56
CYP1A2 P05177 3/20 0.56
CYP1A1 P04798 2/20 0.56
CYP1B1 Q16678 2/20 0.56
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
THRB P10828 1/20 0.43
GPR3 P46089 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 2/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
CES2 O00748 1/20 0.36
BCHE P06276 1/20 0.36
CES1 P23141 1/20 0.36
MCL1 Q07820 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
SCHEMBL1293964 1.00 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL13864490 0.91 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL11907785 0.85 ALDH1A1 (0.46) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL22988978 0.84 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL1273963 0.79 ALDH1A1 (0.61) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL23008038 0.78 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL18056006 0.76 ALDH1A1 (0.36) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL18053379 0.76 ALDH1A1 (0.36) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL20276592 0.75 CYP3A4 (0.63) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL13936016 0.74 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRHPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119775093-A Anthracene-and pyrene-containing blue light material, preparation method and organic electroluminescent device 吉林奥来德光电材料股份有限公司 2025-04-08 CN disclosed
CN-119212992-A Nicotinic acetylcholine receptor ligands 菲利普莫里斯生产公司 2024-12-27 CN disclosed
CN-119095848-A Nicotinic acetylcholine receptor ligands 菲利普莫里斯生产公司 2024-12-06 CN disclosed
CN-117624119-A Organic compound and organic light-emitting element 佳能株式会社 2024-03-01 CN disclosed