SCHEMBL7717027

SCHEMBL7717027

COc1c(C#N)cccc1CBr

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HTR2A P28223 3/20 0.37
MAPT P10636 1/20 0.36
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36
HTR2C P28335 1/20 0.35
NPBWR1 P48145 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BACE1 P56817 1/20 0.34
NPSR1 Q6W5P4 1/20 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
SCHEMBL20231243 0.84 TSHR (0.42) TSHRALDH1A1GAAPOLBNPC1
SCHEMBL7674087 0.82 TSHR (0.41) TSHRALDH1A1GAAPOLBNPC1
SCHEMBL7674083 0.82 TSHR (0.41) TSHRALDH1A1GAAPOLBNPC1
SCHEMBL6172992 0.81 NAMPT (0.34) TSHRALDH1A1NPC1RAB9A
SCHEMBL9078093 0.80 ALDH1A1 (0.40) TSHRALDH1A1GAAPOLBHTR2A
SCHEMBL6736896 0.80 POLB (0.47) TSHRALDH1A1GAAPOLBMAPT
SCHEMBL1423571 0.76 POLB (0.41) TSHRALDH1A1GAAPOLBMAPT
SCHEMBL31667703 0.76 TSHR (0.43) TSHRALDH1A1MAPT
SCHEMBL30976506 0.76 POLB (0.41) TSHRALDH1A1GAAPOLBMAPT
SCHEMBL6354890 0.76 TSHR (0.43) TSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117858881-A Phospholipid compounds and methods of making and using the same 吉利德科学公司 2024-04-09 CN disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004305-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed