SCHEMBL9856847

SCHEMBL9856847

Cc1ccc2c(C(=O)c3ccccc3)cccc2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
AKR1C3 P42330 2/20 0.51
PTPN1 P18031 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP1A2 P05177 1/20 0.49
CDC25B P30305 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
BCL2 P10415 1/20 0.46
MCL1 Q07820 1/20 0.46
BAD Q92934 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL27206810 0.88 CYP1A2 (0.57) POLBPTPN1CYP1A2CDC25BNPC1
SCHEMBL31475700 0.88 CYP1A2 (0.57) POLBPTPN1CYP1A2CDC25BNPC1
SCHEMBL344157 0.83 PTPN1 (0.66) POLBPTPN1CYP1A2CDC25BNPC1
SCHEMBL31522164 0.83 PTPN1 (0.66) POLBPTPN1CYP1A2CDC25BNPC1
SCHEMBL10661918 0.81 AKR1C3 (0.61) AKR1C3NPSR1CDC25BNPC1RAB9A
SCHEMBL6913798 0.81 PTPN1 (0.64) POLBPTPN1CYP1A2CDC25BNPC1
SCHEMBL6917255 0.81 PTPN1 (0.64) POLBPTPN1CYP1A2CDC25BNPC1
SCHEMBL6909826 0.81 PTPN1 (0.64) POLBPTPN1CYP1A2CDC25BNPC1
SCHEMBL6916641 0.81 PTPN1 (0.64) POLBPTPN1CYP1A2CDC25BNPC1
SCHEMBL6913305 0.81 PTPN1 (0.64) POLBPTPN1CYP1A2CDC25BNPC1

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