SCHEMBL9857537

SCHEMBL9857537

CCc1ccc2c(C(=O)c3ccccc3)cccc2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.48
CDC25B P30305 2/20 0.47
PTPN1 P18031 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
TP53 P04637 1/20 0.46
BCL2 P10415 1/20 0.43
MCL1 Q07820 1/20 0.43
BAD Q92934 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL9857393 0.89 CNR2 (0.47) CNR2CDC25BPTPN1BCL2MCL1
SCHEMBL345159 0.84 PTPN1 (0.60) CDC25BPTPN1CYP1A2CYP2A6TP53
SCHEMBL9856847 0.80 POLB (0.55) CDC25BPTPN1CYP1A2TP53BCL2
SCHEMBL8941197 0.79 CYP1A2 (0.46) CYP1A2CYP2A6TP53MEN1ALDH1A1
SCHEMBL345117 0.79 DHODH (0.50) CDC25BCYP1A2CYP2A6MEN1ALDH1A1
SCHEMBL10975750 0.78 ALDH1A1 (0.44) CNR2CDC25BPTPN1CYP1A2CYP2A6
SCHEMBL547632 0.77 CDC25B (0.69) CNR2CDC25BPTPN1CYP1A2BCL2
SCHEMBL29522736 0.77 CDC25B (0.69) CNR2CDC25BPTPN1CYP1A2BCL2
SCHEMBL11233529 0.76 TP53 (0.47) CYP1A2TP53MEN1ALDH1A1KMT2A
SCHEMBL22389564 0.76 PTGS2 (0.55) TP53MEN1ALDH1A1KMT2ASMN1; SMN2

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 2 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
CN-1040332-A Fluorine-containing aromatic sulfonic acid catalyzer and method for making and purposes MITSUI PETROCHEMICAL IND (JP) 1990-03-14 CN disclosed