SCHEMBL11087165

SCHEMBL11087165

CNc1ccccc1CCBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TAAR1 Q96RJ0 3/20 0.39
▸ AR P10275 1/20 0.39
▸ ATP4A P20648 1/20 0.36
▸ ATP4B P51164 1/20 0.36
▸ ATM Q13315 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL22535153 0.82 L3MBTL1 (0.43) TDP1L3MBTL1KDM4EPOLBMAPT
SCHEMBL31112260 0.82 L3MBTL1 (0.43) TDP1L3MBTL1KDM4EPOLBMAPT
SCHEMBL1135151 0.80 ADRA2B (0.45) TDP1L3MBTL1KDM4EPOLBMAPT
SCHEMBL12017398 0.78 TAAR1 (0.54) TDP1L3MBTL1KDM4EPOLBMAPT
SCHEMBL18676085 0.78 ALDH1A1 (0.41) TDP1L3MBTL1KDM4EPOLBMAPT
SCHEMBL932125 0.78 TDP1 (0.40) TDP1L3MBTL1KDM4EPOLBMAPT
SCHEMBL14292157 0.77 ATM (0.48) TDP1L3MBTL1KDM4EPOLBMAPT
SCHEMBL4093561 0.77 CYP3A4 (0.45) TDP1L3MBTL1KDM4EPOLBMAPT
SCHEMBL30600 0.75 TDP1 (0.55) TDP1ALDH1A1TAAR1IDO1
SCHEMBL17750799 0.75 KDM4E (0.38) TDP1L3MBTL1KDM4EPOLBMAPT

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
CN-101679254-A The piperidines ketone that is used for inflammation treatment BIOLIPOX AB 2010-03-24 — — CN disclosed
US-4460597-A Herbicidal 5-aminoalkoxy-4-benzoyl-1,3-dimethyl-pyrazole derivatives SANKYO COMPANY, LIMITED (JP) 1984-07-17 — — US disclosed
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