SCHEMBL22854291

SCHEMBL22854291

CC(C)c1ccc(C(=O)N2CC(C#N)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ POLB P06746 1/20 0.48
▸ MGLL Q99685 6/20 0.44
▸ MAPT P10636 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ LIPE Q05469 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PLA2G1B P04054 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ GLRA1 P23415 1/20 0.39

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
SCHEMBL20116629 0.85 KMT2A (0.61) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL24185211 0.83 MGLL (0.48) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL13006682 0.81 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL24185272 0.80 HPGD (0.54) ALDH1A1KMT2ALMNAPOLBMGLL
SCHEMBL17319229 0.78 GAA (0.64) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL20085460 0.77 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL19473338 0.77 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL19226514 0.77 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL18068293 0.77 NPC1 (0.65) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL20085608 0.77 KMT2A (0.58) ALDH1A1KMT2AMEN1LMNASMN1; SMN2

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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