SCHEMBL9749622

SCHEMBL9749622

c1ccc2cc3sccc3c-2cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
F9 P00740 1/20 0.37
CSNK2A2 P19784 5/20 0.36
CSNK2B P67870 5/20 0.36
CSNK2A1 P68400 5/20 0.36
PDPK1 O15530 1/20 0.36
ADORA2A P29274 1/20 0.36
BCAT2 O15382 1/20 0.35
DHODH Q02127 1/20 0.34
BACE1 P56817 1/20 0.33
RORB Q92753 1/20 0.33
SLC9A1 P19634 1/20 0.33
TERT O14746 1/20 0.33

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
SCHEMBL9874491 0.87 CNR2 (0.41) ALOX5ADORA2ASLC9A1
SCHEMBL4315241 0.83 ADRA2A (0.49) ALOX5ADRA2AADRA2BF9PDPK1
SCHEMBL28744574 0.79 ADRA2A (0.45) ALOX5ADRA2AADRA2BF9BCAT2
SCHEMBL10944347 0.78 ADRA2A (0.51) ALOX5ADRA2AADRA2BF9ADORA2A
SCHEMBL9825320 0.77 SLC9A1 (0.38) ALOX5ADRA2AADRA2BSLC9A1
SCHEMBL9825192 0.76 KDM4E (0.39) ALOX5XDHSLC22A12
SCHEMBL13129265 0.76 ADRA2A (0.43) ALOX5XDHSLC22A12ADRA2AADRA2B
SCHEMBL8443771 0.75 KMO (0.49) ADRA2AADRA2B
SCHEMBL7596515 0.73 XDH (0.44) ALOX5XDHSLC22A12CSNK2A2CSNK2B
SCHEMBL21046206 0.73 ADRA2A (0.41) ADRA2AADRA2B

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-5149819-A Squarylium compounds and optical information recording medium using the same RICOH COMPANY, LTD. (JP) 1992-09-22 US disclosed
US-5085909-A SQUARYLIUM COMPOUNDS AND OPTICAL INFORMATION RECORDING MEDIUM USING THE SAME RICOH COMPANY, LTD. (JP) 1992-02-04 US disclosed
US-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed
EP-0187015-B1 SQUARILIUM COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME MITSUBISHI KASEI CORPORATION (JP) 1991-05-29 EP disclosed
EP-0187015-A2 Squarilium compound and liquid crystal composition containing the same MITSUBISHI KASEI CORPORATION (JP) 1986-07-09 EP disclosed