SCHEMBL6559725

SCHEMBL6559725

Oc1ccccc1-c1cnn(-c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GRM4 Q14833 10/20 0.55
HTR2B P41595 1/20 0.54
MTNR1A P48039 1/20 0.54
KCNH2 Q12809 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HPGD P15428 2/20 0.51
NFKB1 P19838 1/20 0.51
HTT P42858 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MAPK1 P28482 3/20 0.50
ALOX15 P16050 2/20 0.50
KDM4E B2RXH2 1/20 0.49
GRM2 Q14416 1/20 0.49

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
SCHEMBL515503 0.77 GAA (0.59) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL17736002 0.76 GAA (0.57) GAAMAPTGRM4HTR2BMTNR1A
SCHEMBL6562208 0.76 GRM4 (0.55) MAPTALDH1A1MEN1KMT2AGRM4
SCHEMBL16968461 0.75 SMARCA2 (0.68) ALDH1A1HPGDGRM2HSD17B10BCL2L1
Hydrochloric Acid SCHEMBL30557201 0.74 SMARCA2 (0.67) ALDH1A1HPGDGRM2HSD17B10BCL2L1
SCHEMBL2419571 0.74 GAA (1.00) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL22466170 0.72 GAA (0.53) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL22466022 0.72 GAA (0.53) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL513941 0.72 GAA (0.52) GAAMAPTGRM4HTR2BMTNR1A
SCHEMBL30260561 0.71 SMARCA2 (0.43) ALDH1A1HPGDHSD17B10BCL2L1

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
EP-1071670-B1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2004-07-07 EP disclosed
US-6255327-B1 ANTIHYPOXC, ANTIISCHEMIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-03 US disclosed
EP-1071670-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-01-31 EP disclosed
WO-1999054314-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed