SCHEMBL29177293

SCHEMBL29177293

Cc1cc(N)ncc1N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
THRB P10828 1/20 0.51
NR4A1 P22736 1/20 0.51
PTK2B Q14289 1/20 0.51
NOS3 P29474 3/20 0.50
NOS1 P29475 3/20 0.50
NOS2 P35228 3/20 0.50
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A3 P47895 2/20 0.41
S100B P04271 2/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL17796673 0.91 HRH4 (0.46) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL21698793 0.86 KDM4E (0.47) ALDH1A1GAAMAPTPTK2BNOS3
SCHEMBL17796406 0.84 PIK3CA (0.59) MEN1MAPTKMT2ANOS3NOS1
SCHEMBL25886109 0.84 FLT3 (0.48) NOS3NOS1NOS2NCF1
SCHEMBL22112924 0.82 NOS3 (0.43) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL21698778 0.82 MAPT (0.57) ALDH1A1GAAMAPTNOS3NOS1
SCHEMBL23375904 0.74 PIK3CA (0.46) MAPTNOS3NOS1NOS2PIK3R1
SCHEMBL17796326 0.74 MAP4K4 (0.43) NOS3NOS1NOS2PIK3R1PIK3CA
SCHEMBL17796330 0.74 MAP4K4 (0.43) NOS3NOS1NOS2PIK3R1PIK3CA
SCHEMBL17796327 0.74 MAP4K4 (0.43) NOS3NOS1NOS2PIK3R1PIK3CA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117242060-A Isoindolinone compounds 蒙特罗萨医疗公司 2023-12-15 CN disclosed
EP-4277901-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics, Inc. (US) 2023-11-22 EP disclosed
EP-4278014-A1 TREATMENT OF MYC-DRIVEN CANCERS WITH GSPT1 DEGRADERS Monte Rosa Therapeutics, Inc. (US) 2023-11-22 EP disclosed
WO-2022152822-A1 TREATMENT OF MYC-DRIVEN CANCERS WITH GSPT1 DEGRADERS MONTE ROSA THERAPEUTICS AG (CH) 2022-07-21 WO disclosed
WO-2022152821-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2022-07-21 WO disclosed