SCHEMBL9886979

SCHEMBL9886979

COc1ccc(-c2ccc(OC)c3ccccc23)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.50
▸ ALDH1A1 P00352 6/20 0.49
▸ MAPT P10636 4/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ AKR1C3 P42330 2/20 0.47
▸ AKR1C2 P52895 2/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ AKR1B10 O60218 1/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ AKR1C4 P17516 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
SCHEMBL9887352 0.86 ALDH1A1 (0.49) RAB9AALDH1A1MAPTTDP1NPC1
SCHEMBL10340370 0.84 ALDH1A1 (0.61) RAB9AALDH1A1MAPTKDM4EMAPK1
SCHEMBL7842399 0.83 ALDH1A1 (0.49) RAB9AALDH1A1MAPTKDM4EMAPK1
SCHEMBL11188342 0.81 L3MBTL1 (0.53) RAB9AALDH1A1MAPTKDM4EMAPK1
SCHEMBL4063903 0.80 ALDH1A1 (0.61) RAB9AALDH1A1MAPTMAPK1TDP1
SCHEMBL29650091 0.80 ALDH1A1 (0.61) RAB9AALDH1A1MAPTMAPK1TDP1
SCHEMBL99419 0.79 ALDH1A1 (0.57) RAB9AALDH1A1MAPTKDM4EMAPK1
SCHEMBL28218587 0.78 ALDH1A1 (0.59) RAB9AALDH1A1MAPTMAPK1TDP1
SCHEMBL589908 0.78 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EMAPK1TDP1
SCHEMBL229065 0.77 CYP1A2 (0.50) RAB9AALDH1A1MAPTKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012073541-A1 BENZO[c]CARBAZOLE COMPOUND HAVING PYRIDINE-CONTAINING SUBSTITUENT AND ORGANIC ELECTROLUMINESCENT ELEMENT JNC株式会社 (JP) 2012-06-07 — — WO disclosed
WO-2011068204-A1 BENZO[C]CARBAZOLE COMPOUND THAT HAS SUBSTITUENT BEARING PYRIDINE RING, AND ORGANIC ELECTROLUMINESCENT ELEMENT JNC株式会社 (JP) 2011-06-09 — — WO disclosed
Send feedback