SCHEMBL28909736

SCHEMBL28909736

c1ccc2c(Cc3ccc(Sc4ccc(Cc5c6ccccc6cc6ccccc56)cc4)cc3)c3ccccc3cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 2/20 0.38
LMNA P02545 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MAPT P10636 2/20 0.37
GPR35 Q9HC97 2/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SLC6A4 P31645 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PRNP P04156 1/20 0.36
CYP3A4 P08684 1/20 0.36
PPARG P37231 1/20 0.36
HTT P42858 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
SCHEMBL4642432 0.82 HTR2A (0.56) HTR2AL3MBTL1GPR35POLBCYP1A2
SCHEMBL23527407 0.79 HTR2A (0.48) HTR2AL3MBTL1LMNAMAPTGPR35
SCHEMBL8866398 0.79 CYP1A2 (0.48) HTR2AL3MBTL1GPR35POLBCYP1A2
SCHEMBL23527427 0.77 HTR2A (0.65) HTR2AL3MBTL1GPR35POLBCYP1A2
SCHEMBL27959231 0.76 HTR2A (0.46) HTR2AL3MBTL1GPR35POLBCYP1A2
SCHEMBL23527435 0.76 HTR2A (0.48) HTR2AL3MBTL1GPR35POLBCYP1A2
SCHEMBL22685100 0.74 L3MBTL1 (0.43) HTR2AL3MBTL1LMNAMAPTGPR35
SCHEMBL9660490 0.74 PTPN1 (0.43) HTR2AL3MBTL1MAPT
SCHEMBL23527412 0.71 HTR2A (0.41) HTR2AL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL534639 0.71 CALM1 (0.63) LMNARXFP1MAPTCYP1A2CYP2C9

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
CN-112533934-A Polyoxometallate compounds exhibiting bright emission and methods of making the same 纳米2D材料有限公司 2021-03-19 CN disclosed