SCHEMBL28110438

SCHEMBL28110438

CCC(=O)c1ncc(Br)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.40
▸ TSHR P16473 3/20 0.36
▸ MAPT P10636 2/20 0.35
▸ PAK1 Q13153 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL17224828 0.84 PLAU (0.41) PLAUKDM4EPOLBHCAR2ALDH1A1
SCHEMBL16711940 0.82 L3MBTL1 (0.42) PLAUTSHRMAPTPAK1POLB
SCHEMBL18335071 0.80 PLAU (0.43) PLAUTSHRMAPTKDM4EPOLB
SCHEMBL24852722 0.79 KDM4E (0.38) MAPTKDM4EPOLBHCAR2ALDH1A1
SCHEMBL17362509 0.79 HSD17B10 (0.49) TSHRMAPTKDM4EPOLBALDH1A1
SCHEMBL23953722 0.79 PLAU (0.37) PLAUMAPTKDM4EALDH1A1MEN1
SCHEMBL29837373 0.78 ALDH1A1 (0.47) PLAUKDM4EPOLBHCAR2ALDH1A1
SCHEMBL362121 0.78 ALDH1A1 (0.47) PLAUKDM4EPOLBHCAR2ALDH1A1
SCHEMBL17224852 0.78 PLAU (0.44) PLAUKDM4EPOLBHCAR2ALDH1A1
SCHEMBL20613722 0.78 HCAR2 (0.41) PLAUTSHRMAPTKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106255688-A Morpholine pyridine derivate 豪夫迈·罗氏有限公司 2016-12-21 — — CN disclosed
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