SCHEMBL22854286

SCHEMBL22854286

CC(C)c1ccc(N2CCC(C#N)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.46
▸ RORC P51449 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ PANK3 Q9H999 3/20 0.44
▸ MAPT P10636 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL3 Q96JM7 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ EGLN2 Q96KS0 1/20 0.38
▸ UCHL1 P09936 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
SCHEMBL15652842 0.81 MAPT (0.50) RORCALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL26938693 0.81 ALDH1A1 (0.49) RORCALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL10147276 0.79 USP2 (0.54) HRH3ALDH1A1KDM4EPANK3MAPT
SCHEMBL20004338 0.79 HRH3 (0.50) HRH3ALDH1A1KDM4EPANK3MAPT
SCHEMBL15187981 0.79 HRH3 (0.50) HRH3ALDH1A1KDM4EPANK3MAPT
SCHEMBL20251137 0.78 MAPT (0.51) HRH3ALDH1A1KDM4EPANK3MAPT
SCHEMBL17008296 0.77 KDM4E (0.49) HRH3RORCALDH1A1KDM4EMAPT
SCHEMBL13929499 0.77 HTR6 (0.52) HRH3ALDH1A1KDM4EPANK3MAPT
SCHEMBL10118804 0.77 HRH3 (0.49) HRH3ALDH1A1KDM4EPANK3MAPT
SCHEMBL11977005 0.77 HRH3 (0.52) HRH3RORCALDH1A1KDM4EPANK3

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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