SCHEMBL28462816

SCHEMBL28462816

COc1cc(Br)ccc1C(C)c1ncc(C)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ APLNR P35414 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ P2RX3 P56373 3/20 0.32
▸ P2RX2 Q9UBL9 3/20 0.32
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ RRM1 P23921 1/20 0.31
▸ RRM2B Q7LG56 1/20 0.31
▸ MC4R P32245 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL12806459 0.70 LPAR1 (0.49) LPAR1POLBGAAGFERLMNA
SCHEMBL30626962 0.70 LPAR1 (0.49) LPAR1POLBGAAGFERLMNA
SCHEMBL18250079 0.69 MTNR1A (0.47) HTTPOLBGAAMC4RMEN1
SCHEMBL21673459 0.68 KDM4E (0.41) POLBGAAGFER
SCHEMBL30178974 0.68 KDM4E (0.41) POLBGAAGFER
SCHEMBL4974576 0.68 KDM4E (0.41) POLBGAAGFER
SCHEMBL16564328 0.68 LPAR1 (0.43) LPAR1GAALMNA
SCHEMBL7947311 0.66 TSHR (0.42) LPAR1SMN1; SMN2APLNRGAALMNA
SCHEMBL1321414 0.66 KDM4E (0.39) LPAR1APLNRPOLBMEN1KMT2A
SCHEMBL21472351 0.65 CYP2D6 (0.53) LPAR1LMNA

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-107849050-B Compound (I) 爱丁堡大学董事会 2020-10-13 — — CN disclosed
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