SCHEMBL5101331

SCHEMBL5101331

c1ccc2c(CNCc3c4ccccc4cc4ccccc34)c3ccccc3cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HSD17B10 Q99714 5/20 0.50
CYP1A2 P05177 4/20 0.50
CYP2C19 P33261 3/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2D6 P10635 1/20 0.50
ALDH1A1 P00352 3/20 0.42
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
MAPK1 P28482 1/20 0.42
MC5R P33032 1/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.39
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL11627125 0.90 CYP1A2 (0.65) HTR2AL3MBTL1HSD17B10CYP1A2CYP2C19
SCHEMBL7904045 0.87 HTR2A (0.50) HTR2AL3MBTL1HSD17B10CYP1A2CYP2C19
SCHEMBL5854479 0.86 HTR2A (0.48) HTR2AL3MBTL1MAOAABCB1
SCHEMBL14256374 0.84 HTR2A (0.57) HTR2AL3MBTL1HSD17B10CYP1A2CYP2C19
SCHEMBL17013852 0.84 HTR2A (0.47) HTR2AL3MBTL1HSD17B10CYP1A2CYP2C19
SCHEMBL30668207 0.84 HTR2A (0.57) HTR2AL3MBTL1HSD17B10CYP1A2CYP2C19
SCHEMBL3297203 0.84 PRMT5 (0.50) HTR2AL3MBTL1HSD17B10CYP1A2CYP2C19
SCHEMBL23597736 0.82 HTR2A (0.46) HTR2AL3MBTL1HSD17B10CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4863903 0.82 HTR2A (0.55) HTR2AL3MBTL1HSD17B10ALDH1A1MC5R
SCHEMBL713198 0.82 HTR2A (0.54) HTR2AL3MBTL1HSD17B10CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326510-B2 Polycarbocyclic derivatives for modification of resist, optical and etch resistance properties GOGOLIDES EVANGELOS 2008-02-05 US disclosed
US-7326510-B2 Polycarbocyclic derivatives for modification of resist, optical and etch resistance properties GOGOLIDES EVANGELOS 2008-02-05 US disclosed
US-7326510-B2 Polycarbocyclic derivatives for modification of resist, optical and etch resistance properties GOGOLIDES EVANGELOS 2008-02-05 US disclosed
EP-1444550-B1 POLYCARBOCYCLIC DERIVATIVES FOR MODIFICATION OF RESIST, OPTICAL AND ETCH RESISTANCE PROPERTIES NCSR DEMOKRITOS (GR) 2005-09-21 EP disclosed
US-20050026068-A1 Polycarbocyclic derivatives for modification of resist, optical and etch resistance properties GOGOLIDES EVANGELOS (GR) 2005-02-03 US disclosed
EP-1444550-A2 POLYCARBOCYCLIC DERIVATIVES FOR MODIFICATION OF RESIST, OPTICAL AND ETCH RESISTANCE PROPERTIES NCSR DEMOKRITOS (GR) 2004-08-11 EP disclosed
WO-2003038523-A2 POLYCARBOCYCLIC DERIVATIVES FOR MODIFICATION OF RESIST, OPTICAL AND ETCH RESISTANCE PROPERTIES NCSR DEMOKRITOS (GR) 2003-05-08 WO disclosed