SCHEMBL8021145

SCHEMBL8021145

COCOc1ccc[n+]([O-])c1C(=O)c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
PARP1 P09874 1/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
MAOB P27338 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL8020675 0.76 TDP1 (0.42) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL8021822 0.75 PARP1 (0.45) KDM4EMAPTGAAALDH1A1POLB
SCHEMBL8021983 0.73 CYP3A4 (0.32) MAPTTSHRCYP3A4CYP2C19CYP2D6
SCHEMBL8815713 0.68 TSHR (0.34) ALDH1A1TSHRCYP3A4CYP2C19CYP2D6
SCHEMBL514887 0.68 KDM4E (0.60) KDM4EGAAL3MBTL1TSHRPARP1
SCHEMBL23320362 0.67 PTGDR2 (0.56) KDM4EMAPTALDH1A1POLBCYP2C19
SCHEMBL241785 0.66 PARP1 (0.68) MAPTGAAALDH1A1RAB9ANPC1
SCHEMBL30153175 0.66 PARP1 (0.68) MAPTGAAALDH1A1RAB9ANPC1
SCHEMBL7626205 0.66 RXFP1 (0.51) KDM4EMAPTGAAALDH1A1POLB
SCHEMBL25308751 0.65 CYP1A2 (0.71) MAPTGAAALDH1A1L3MBTL1TSHR

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-6140282-A LUBRICATING BASE OIL AND A MINOR AMOUNT OF A MIXTURE OF HIGH TOTAL BASE NUMBER(TBN), MEDIUM TBN AND LOW/NEUTRAL TBN DETERGENTS WHEREIN METAL SALICYLATE DETERGENT IS AT LEAST ONE OF THE MEDIUM OR LOW/NEUTRAL TBN DETERGENTS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2000-10-31 US disclosed
EP-0802187-B1 Hydroxypyridine derivatives, their production and their pharmaceutical use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-02-16 EP disclosed
US-5891895-A POTASSIUM CHANNEL MODULATORS; ANGINA PECTORIS; HYPERTENSIVEAGENTS; CARDIOVASCULAR, RESPIRATORY SYSTEM, BRAIN, GASTROINTESTINAL AND UROGENITAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-04-06 US disclosed
EP-0802187-A1 Hydroxypyridine derivatives, their production and their pharmaceutical use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-22 EP disclosed