SCHEMBL4802097

SCHEMBL4802097

Cc1cc2cccc(OC(c3ccccc3)c3ccccc3)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
ITK Q08881 2/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR6 P50406 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ALOX5 P09917 1/20 0.32
GFER P55789 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL8232271 0.81 MCHR1 (0.41) KDM4EGAAALDH1A1HPGDHTT
SCHEMBL476670 0.75 ITK (0.48) IDO1KDM4EGAAALDH1A1HPGD
SCHEMBL5334267 0.73 BCHE (0.44) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL7054784 0.73 MAPT (0.56) HTTSMN1; SMN2HTR6ALOX5POLB
SCHEMBL15450893 0.71 KDM4E (0.47) KDM4EGAAALDH1A1HPGDHTT
SCHEMBL26932454 0.70 KDM4E (0.39) IDO1KDM4EGAAALDH1A1HPGD
SCHEMBL28031218 0.70 SLC6A2 (0.54) KDM4EALDH1A1HPGDSLC6A2SLC6A4
SCHEMBL4480102 0.69 SLC6A2 (0.53) IDO1TDO2KDM4ESMN1; SMN2SLC6A2
SCHEMBL16632705 0.69 MAPT (0.50) HTTSMN1; SMN2HTR6ALOX5MAPT
SCHEMBL3293424 0.68 DAO (0.53) KDM4EGAAALDH1A1HPGDHTT

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-7388020-B2 Benzimidazol derivatives modulate chemokine receptors ASTRAZENECA AB (SE) 2008-06-17 US disclosed
US-20040116435-A1 Benzimidazol derivatives modulate chemokine receptors ASTRAZENECA AB (SE) 2004-06-17 US disclosed
EP-1373248-A1 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS AstraZeneca AB (SE) 2004-01-02 EP disclosed
WO-2002074763-A9 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002074763-A1 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed