SCHEMBL9856895

SCHEMBL9856895

O=C(c1ccc2ccccc2c1)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.56
BCL2 P10415 1/20 0.56
MCL1 Q07820 1/20 0.56
BAD Q92934 1/20 0.56
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.52
EP300 Q09472 1/20 0.52
PRMT1 Q99873 1/20 0.52
PLK1 P53350 1/20 0.51
CNR2 P34972 3/20 0.51
CNR1 P21554 1/20 0.51

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
SCHEMBL2014295 0.94 BCL2 (0.58) CDC25BBCL2MCL1BADCES2
SCHEMBL27656847 0.88 ALDH1A1 (0.59) CDC25BBCL2MCL1BADCES2
SCHEMBL13045498 0.85 CDC25B (0.63) CDC25BBCL2MCL1BADNR4A1
SCHEMBL4068640 0.85 BCL2 (0.44) CDC25BBCL2MCL1BADCES2
SCHEMBL12551374 0.83 CDC25B (0.61) CDC25BBCL2MCL1BADNR4A1
Naphthalene SCHEMBL11467392 0.83 CDC25B (0.67) CDC25BBCL2MCL1BADNR4A1
Beta-Naphtoic Acid SCHEMBL6952554 0.83 PTPN1 (0.75) CDC25BCES2CES1NR4A1NR4A2
SCHEMBL9624773 0.81 ALDH1A1 (0.68) CES2CES1MAPTMEN1MAPK1
SCHEMBL18153975 0.81 CES2 (0.50) CDC25BBCL2MCL1BADCES2
SCHEMBL29522736 0.81 CDC25B (0.69) CDC25BBCL2MCL1BADNR4A1

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
EP-0426846-A1 FLUORINATED-AROMATIC SULFONIC ACID CATALYST, PROCESS FOR ITS PRODUCTION, AND ITS USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-05-15 EP disclosed
US-4026859-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026860-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026861-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed