SCHEMBL7536258

SCHEMBL7536258

Cc1nn(-c2ccc(C(C)C)cc2)c2c1C(C)CCC2=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DHODH Q02127 1/20 0.36
MGLL Q99685 1/20 0.34
HIF1A Q16665 1/20 0.34
NPBWR1 P48145 4/20 0.33
MCHR1 Q99705 1/20 0.33
OPRM1 P35372 1/20 0.33
NR3C1 P04150 1/20 0.32
PTGS1 P23219 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL6769771 0.69 MAPT (0.37) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL6771990 0.69 OPRM1 (0.54) MAPTLMNATDP1NPSR1ALDH1A1
SCHEMBL6771511 0.68 L3MBTL1 (0.49) MAPTLMNATDP1NPSR1L3MBTL1
SCHEMBL25762306 0.65 LMNA (0.47) MAPTLMNATDP1NPSR1L3MBTL1
SCHEMBL6770476 0.65 OPRM1 (0.45) MAPTLMNATDP1NPSR1L3MBTL1
SCHEMBL6770960 0.65 SRC (0.43) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL6771854 0.65 MAPT (0.33) MAPTL3MBTL1DHODH
SCHEMBL6776532 0.64 SRC (0.36) MAPTLMNANPSR1L3MBTL1ALDH1A1
SCHEMBL6770401 0.63 OPRM1 (0.77) LMNANPSR1ALDH1A1OPRM1
SCHEMBL22924459 0.63 LMNA (0.54) MAPTLMNATDP1NPSR1L3MBTL1

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