SCHEMBL13466364

SCHEMBL13466364

CC(C)c1ccc(C(=O)N2CC(O)C2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G1B P04054 2/20 0.45
▸ ATG4B Q9Y4P1 2/20 0.45
▸ PDE10A Q9Y233 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GFER P55789 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ ACACB O00763 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL3 Q96JM7 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SCN9A Q15858 3/20 0.37
▸ SCN10A Q9Y5Y9 2/20 0.37
▸ CHRNB2 P17787 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
SCHEMBL13466373 0.85 PLA2G1B (0.47) PLA2G1BATG4BPDE10ATDP1SMN1; SMN2
SCHEMBL16131134 0.82 PLA2G1B (0.34) PLA2G1BATG4BSMN1; SMN2LMNANPC1
SCHEMBL12186155 0.82 KMT2A (0.54) PLA2G1BATG4BTDP1SMN1; SMN2LMNA
SCHEMBL10329767 0.82 SMN1; SMN2 (0.58) PLA2G1BATG4BTDP1SMN1; SMN2LMNA
SCHEMBL26772953 0.81 HRH3 (0.53) PLA2G1BATG4BTDP1SMN1; SMN2LMNA
SCHEMBL13467096 0.80 PDE10A (0.56) PDE10ATDP1SMN1; SMN2MAPTRAB9A
SCHEMBL24370438 0.79 TDP1 (0.48) PLA2G1BATG4BTDP1SMN1; SMN2LMNA
SCHEMBL19766587 0.79 PLA2G1B (0.43) PLA2G1BATG4BPDE10ATDP1SMN1; SMN2
SCHEMBL13466383 0.79 PLA2G1B (0.43) PLA2G1BATG4BTDP1SMN1; SMN2LMNA
SCHEMBL20803928 0.78 SCN9A (0.48) PLA2G1BATG4BTDP1SMN1; SMN2LMNA

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
WO-2018103688-A1 IMIDAZO [1,5-A] PYRAZINE DERIVATIVES AS PI3Kdelta INHIBITORS BEIGENE, LTD. (KY) 2018-06-14 — — WO disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 — — WO disclosed
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