SCHEMBL6010818

SCHEMBL6010818

Cc1c(Cl)cc([N+](=O)[O-])c(O)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 7/20 0.57
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 4/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HTT P42858 3/20 0.46
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 1/20 0.44
TTR P02766 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 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
SCHEMBL6010888 0.87 GPR35 (0.61) GPR35ALDH1A1MEN1MAPTKMT2A
SCHEMBL17744644 0.84 GPR35 (0.52) GPR35ALDH1A1MEN1MAPTKMT2A
SCHEMBL9500870 0.81 GPR35 (0.68) GPR35ALDH1A1MEN1MAPTKMT2A
SCHEMBL17744647 0.81 GPR35 (0.49) GPR35ALDH1A1MEN1MAPTKMT2A
SCHEMBL10981893 0.80 GPR35 (0.47) GPR35ALDH1A1TDP1SMN1; SMN2CYP3A4
SCHEMBL5041429 0.79 GPR35 (0.53) GPR35ALDH1A1MEN1MAPTKMT2A
SCHEMBL38652666 0.77 TDP1 (0.52) GPR35ALDH1A1TDP1SMN1; SMN2CYP3A4
SCHEMBL4544555 0.77 GPR35 (0.74) GPR35ALDH1A1MEN1MAPTKMT2A
SCHEMBL5408193 0.77 GPR35 (0.50) GPR35ALDH1A1MEN1MAPTKMT2A
SCHEMBL30954158 0.77 CYP1A2 (0.56) GPR35ALDH1A1MEN1MAPTKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045516-B1 Benzoxazole derivatives and drugs containing the same as the active ingredient KOICHI SHUDO (JP) 2006-05-16 US disclosed
EP-1134220-B1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT SHUDO KOICHI (JP) 2004-08-18 EP disclosed
CN-1333771-A Benzoxazole derivative and drug containing the same as active ingredient MEIJI SEIKA KAISHA (JP) 2002-01-30 CN disclosed
EP-1134220-A1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed