SCHEMBL22854086

SCHEMBL22854086

CC(C)c1ccc(N2CCN(C(N)=O)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 7/20 0.57
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ MAPT P10636 3/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ TP53 P04637 2/20 0.56
▸ THRB P10828 1/20 0.56
▸ LMNA P02545 4/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ CASP6 P55212 1/20 0.54
▸ GFER P55789 1/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ HTR2A P28223 1/20 0.54

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
SCHEMBL10288811 0.85 PANK3 (0.58) PANK3SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL10169298 0.85 MAPT (0.71) PANK3SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL23544884 0.83 PANK3 (0.57) PANK3SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL5725441 0.82 GFER (0.71) SMN1; SMN2ALDH1A1MAPTMAPK1TP53
SCHEMBL25839459 0.82 PANK3 (0.56) PANK3SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL20883565 0.82 AKR1C3 (0.67) PANK3SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL23544877 0.82 PANK3 (0.56) PANK3SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL20883570 0.82 PANK3 (0.56) PANK3SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL20251137 0.82 MAPT (0.51) PANK3SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL3174172 0.81 CHIA (0.69) SMN1; SMN2ALDH1A1MAPTLMNAHTT

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
WO-2020261294-A1 NOVEL APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS MANKIND PHARMA LTD. (IN) 2020-12-30 — — WO disclosed
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