SCHEMBL7559397

SCHEMBL7559397

C=CCc1c[nH]nc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ADRA2A P08913 5/20 0.35
ADRA2B P18089 5/20 0.35
ADRA2C P18825 5/20 0.35
HTR1A P08908 3/20 0.35
NISCH Q9Y2I1 1/20 0.35
ALPL P05186 1/20 0.34
GAA P10253 1/20 0.34
IDO1 P14902 1/20 0.34
TTK P33981 1/20 0.34
MAPK10 P53779 1/20 0.34
GABRA1 P14867 2/20 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
SCHEMBL28861332 0.80 ALOX15 (0.43) ALOX15ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL18901018 0.77 DPP4 (0.44) ALOX15ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL28583866 0.77 ALOX15 (0.43) ALOX15ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11123121 0.77 ALOX15 (0.43) ALOX15ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7713823 0.74 KDM4E (0.41) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL20449061 0.74 TAAR1 (0.41) ALOX15ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11624564 0.74 ALOX15 (0.41) ALOX15ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL14036889 0.74 KDM4E (0.44) ALOX15ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL14094653 0.74 RIPK1 (0.42) ALOX15ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL30705190 0.72 TAAR1 (0.43) ALOX15ALDH1A1KDM4EHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772598-B1 PREPARATION OF HETEROCYCLIC- AND CARBOCYCLIC-SUBSTITUTED BENZOIC ACIDS MONSANTO TECHNOLOGY LLC (US) 2002-02-06 EP disclosed
CN-1159187-A Heterocyclic-and carbocyclic-substituted benzoic acids and synthesis thereof MONSANTO CO (US) 1997-09-10 CN disclosed
EP-0772598-A1 HETEROCYCLIC- AND CARBOCYCLIC-SUBSTITUTED BENZOIC ACIDS AND SYNTHESIS THEREOF MONSANTO COMPANY (US) 1997-05-14 EP disclosed
EP-0759907-A1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-05 EP disclosed
US-5587485-A CATALYTIC OXIDATION OF THE CORRESPONDING ALKYL SUBSTITUTED BENZENE COMPOUND MONSANTO COMPANY (US) 1996-12-24 US disclosed
WO-1996002515-A1 HETEROCYCLIC- AND CARBOCYCLIC-SUBSTITUTED BENZOIC ACIDS AND SYNTHESIS THEREOF MONSANTO COMPANY (US) 1996-02-01 WO disclosed
WO-1995032188-A1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-11-30 WO disclosed