SCHEMBL7545320

SCHEMBL7545320

CC(C)c1ccc(-n2nc(C(C)C)c3c2C(=O)CCC3C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
DHODH Q02127 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KCNH2 Q12809 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3R5 Q8WYR1 1/20 0.33
PIK3R3 Q92569 1/20 0.33
MGLL Q99685 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
NPBWR1 P48145 1/20 0.32
PTGS1 P23219 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL7538552 0.80 SRC (0.42) MAPTL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL7539099 0.78 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL7536258 0.77 MAPT (0.39) MAPTDHODHL3MBTL1MGLLALDH1A1
SCHEMBL6771401 0.70 MAPT (0.36) MAPTDHODHL3MBTL1KCNH2PIK3CD
SCHEMBL6767135 0.67 OPRM1 (0.41) DHODHL3MBTL1MGLLALDH1A1LMNA
SCHEMBL6767785 0.67 L3MBTL1 (0.39) MAPTDHODHL3MBTL1MGLLALDH1A1
SCHEMBL6771220 0.66 MAPT (0.33) MAPTDHODHPIK3CDPIK3R2PIK3CA
SCHEMBL6769518 0.65 L3MBTL1 (0.49) MAPTDHODHL3MBTL1MGLLALDH1A1
SCHEMBL6776532 0.63 SRC (0.36) MAPTDHODHL3MBTL1PIK3CDPIK3R2
SCHEMBL6767006 0.62 OPRM1 (0.58)

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
EP-1177185-A1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2002-02-06 EP disclosed
WO-2000069846-A1 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-23 WO disclosed