SCHEMBL5113391

SCHEMBL5113391

CCCCNC(=O)c1c2ccccc2cc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.58
DRD2 P14416 1/20 0.56
DRD3 P35462 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
HPGD P15428 3/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
NAAA Q02083 2/20 0.50
USP2 O75604 1/20 0.49
NCEH1 Q6PIU2 1/20 0.48
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL20734832 0.89 ALDH1A1 (0.52) HPGDALDH1A1KDM4ENAAAUSP2
SCHEMBL17323609 0.88 TSHR (0.46) TSHRHTTDRD2DRD3RAB9A
SCHEMBL17323608 0.84 RAB9A (0.44) TSHRHTTDRD2DRD3RAB9A
SCHEMBL17323592 0.84 ALDH1A1 (0.44) TSHRHTTDRD2DRD3RAB9A
SCHEMBL9035048 0.84 TSHR (0.54) TSHRHTTDRD2DRD3RAB9A
SCHEMBL17119844 0.83 KDM4E (0.53) RAB9ASMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL17323611 0.83 TP53 (0.50) TSHRHPGDALDH1A1KDM4EMEN1
SCHEMBL15444291 0.83 HTT (0.57) TSHRHTTSMN1; SMN2HPGDALDH1A1
SCHEMBL16131330 0.82 ALDH1A1 (0.41) TSHRHTTDRD2DRD3RAB9A
SCHEMBL5490701 0.82 NAAA (0.59) TSHRHTTHPGDALDH1A1KDM4E

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 5 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
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