SCHEMBL9825320

SCHEMBL9825320

Cc1cccc2c3ccsc3cc-2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.38
ACHE P22303 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAOB P27338 1/20 0.34
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
ALOX5 P09917 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.33
ENPP1 P22413 1/20 0.33
HSD17B10 Q99714 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 0.94 CNR2 (0.41) SLC9A1MAOBCA12CA9ALOX5
SCHEMBL9824974 0.78 RXRA (0.36) ADRA2AADRA2BKDM4ECA9ALOX5
SCHEMBL9825192 0.78 KDM4E (0.39) KDM4EMAOBCA12CA9ALOX5
SCHEMBL9749622 0.77 ALOX5 (0.46) SLC9A1ADRA2AADRA2BALOX5
SCHEMBL23555402 0.76 ADRA2A (0.45) ADRA2AADRA2BKDM4EMAOBALDH1A1
SCHEMBL23555373 0.75 ADRA2A (0.44) ADRA2AADRA2BKDM4EMAOBCA12
SCHEMBL10944347 0.72 ADRA2A (0.51) SLC9A1ADRA2AADRA2BKDM4EALOX5
SCHEMBL24795597 0.72 MAPK14 (0.40) KDM4EMAOBCNR2CNR1
SCHEMBL4315241 0.69 ADRA2A (0.49) SLC9A1ADRA2AADRA2BALOX5ALDH1A1
SCHEMBL5153625 0.69 ADRA2A (0.56) ADRA2AADRA2BKDM4EALDH1A1

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
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