SCHEMBL11829997

SCHEMBL11829997

COc1ccc(CN2CCN(C(=O)CCc3c(C)[nH]c4cc(F)ccc34)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PRKAB2 O43741 1/20 0.47
▸ PRKAG1 P54619 1/20 0.47
▸ PRKAA2 P54646 1/20 0.47
▸ PRKAA1 Q13131 1/20 0.47
▸ PRKAG3 Q9UGI9 1/20 0.47

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
SCHEMBL11830955 0.92 POLB (0.46) POLBALDH1A1TSHRTACR1KMT2A
SCHEMBL11823392 0.89 KMT2A (0.56) POLBMAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL11819506 0.81 KMT2A (0.56) ALDH1A1SMN1; SMN2TSHRLMNATACR1
SCHEMBL11834769 0.80 MEN1 (0.50) POLBTSHRGAATACR1KMT2A
SCHEMBL11830008 0.80 PKM (0.48) PKMPOLBMAPTKDM4EALDH1A1
SCHEMBL11822960 0.79 TACR1 (0.69) LMNATACR1KMT2AL3MBTL1
SCHEMBL11834886 0.79 GFER (0.54) POLBMAPTALDH1A1TSHRLMNA
SCHEMBL11825601 0.78 MAPT (0.64) POLBMAPTALDH1A1HTTLMNA
SCHEMBL11828042 0.77 GFER (0.55) MAPTLMNANPSR1TACR1KMT2A
SCHEMBL11823642 0.74 SLC2A1 (0.46) POLBMAPTALDH1A1PTGS2KMT2A

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
US-3933824-A Piperazinobutyrophenone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-01-20 — — US disclosed
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