SCHEMBL28115191

SCHEMBL28115191

NC(=O)Cc1ccccc1OC(Br)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CFD P00746 6/20 0.39
▸ TPSB2 P20231 6/20 0.39
▸ F11 P03951 5/20 0.39
▸ CXCL8 P10145 2/20 0.38
▸ SLC6A3 Q01959 3/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ EDNRB P24530 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MC4R P32245 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MC3R P41968 1/20 0.37
▸ DRD2 P14416 1/20 0.37

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
SCHEMBL29718486 0.78 L3MBTL1 (0.43) CYP2D6SMN1; SMN2L3MBTL1CXCL8SLC6A3
SCHEMBL6682898 0.72 L3MBTL1 (0.73) SMN1; SMN2L3MBTL1KDM4EHTT
SCHEMBL1258981 0.72 HRH1 (0.56) SMN1; SMN2L3MBTL1CXCL8
Benzene SCHEMBL15265833 0.72 AKR1B1 (0.50) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL1010680 0.72 LMNA (0.64) CYP1A2SMN1; SMN2L3MBTL1LMNACYP2C19
SCHEMBL1412911 0.71 HTR1A (0.59) L3MBTL1CFDTPSB2F11LMNA
SCHEMBL4011789 0.70 L3MBTL1 (0.58) CYP1A2NPSR1L3MBTL1LMNAMEN1
SCHEMBL29718904 0.70 L3MBTL1 (0.58) CYP1A2NPSR1L3MBTL1LMNAMEN1
Methane SCHEMBL22289610 0.70 HTR1A (0.57) L3MBTL1CFDTPSB2F11LMNA
SCHEMBL10339218 0.70 AKR1B1 (0.46) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1

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-106336384-B A kind of synthetic method forming oxazolidine -4- ketone 杭州师范大学 2019-05-14 — — CN disclosed
CN-106336384-A Synthetic method for forming oxazolidine-4-ketone 杭州师范大学 2017-01-18 — — CN disclosed
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