SCHEMBL8565816

SCHEMBL8565816

COc1cccc(CCO)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
IDO1 P14902 3/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 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
HSD17B10 Q99714 1/20 0.44
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
AOC3 Q16853 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
Sulfuric Acid SCHEMBL3204406 0.92 CA12 (0.43) TAAR1IDO1ALDH1A1LMNATP53
SCHEMBL2032776 0.89 ALOX5 (0.49) TAAR1IDO1ALDH1A1LMNATP53
SCHEMBL10874974 0.85 TAAR1 (0.49) TAAR1IDO1ALDH1A1LMNAMAPT
SCHEMBL2921543 0.85 IDO1 (0.47) TAAR1IDO1ALDH1A1LMNATP53
SCHEMBL2939712 0.83 GAA (0.40) TAAR1LMNAMAPTKDM4ECYP3A4
SCHEMBL11139082 0.83 ALOX5 (0.49) TAAR1IDO1ALDH1A1LMNATP53
Hydrochloric Acid SCHEMBL7253568 0.81 ALOX5 (0.47) TAAR1IDO1ALDH1A1LMNATP53
SCHEMBL852646 0.80 TAAR1 (0.64) TAAR1IDO1ALDH1A1LMNAMAPT
SCHEMBL29474956 0.80 TAAR1 (0.64) TAAR1IDO1ALDH1A1LMNAMAPT
SCHEMBL15296216 0.79 ALOX5 (0.45) TAAR1IDO1ALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0429614-B1 AZOPHENYL COMPOUNDS JAMES ROBINSON LTD (GB) 1995-10-11 EP claimed
EP-0429614-A1 AZOPHENYL COMPOUNDS. JAMES ROBINSON LTD (GB) 1991-06-05 EP claimed
WO-1990015850-A1 AZOPHENYL COMPOUNDS JAMES ROBINSON LIMITED (GB) 1990-12-27 WO claimed
US-4757152-A Process for producing indoles RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) 1988-07-12 US claimed
CN-1267431-C Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-08-02 CN disclosed
US-5719270-A DYES, INTERMEDIATES PARTINGTON STEVEN MICHAEL (GB) 1998-02-17 US disclosed
EP-0429614-B1 AZOPHENYL COMPOUNDS JAMES ROBINSON LTD (GB) 1995-10-11 EP disclosed
EP-0182256-B1 PROCESS FOR PRODUCING INDOLES RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) 1992-10-07 EP disclosed
EP-0429614-A1 AZOPHENYL COMPOUNDS. JAMES ROBINSON LTD (GB) 1991-06-05 EP disclosed
WO-1990015850-A1 AZOPHENYL COMPOUNDS JAMES ROBINSON LIMITED (GB) 1990-12-27 WO disclosed
US-4757152-A Process for producing indoles RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) 1988-07-12 US disclosed
EP-0182256-A2 Process for producing indoles RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) 1986-05-28 EP disclosed