SCHEMBL23949226

SCHEMBL23949226

Cc1cc(C(=O)c2cc(C#N)ccc2Cl)cc(N2CCOCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.55
AKT1 P31749 1/20 0.47
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
P2RX7 Q99572 1/20 0.43
RORC P51449 3/20 0.43
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.41
SLC6A9 P48067 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 1/20 0.40
GBA1 P04062 1/20 0.40

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
SCHEMBL28989227 0.86 PPARG (0.42) PPARGAKT1PIK3CAMTORUSP2
SCHEMBL30353332 0.86 PPARG (0.42) PPARGAKT1PIK3CAMTORUSP2
SCHEMBL30353327 0.86 PPARG (0.42) PPARGAKT1PIK3CAMTORUSP2
SCHEMBL25555593 0.81 PPARG (0.42) PPARGAKT1PIK3CAMTORUSP2
SCHEMBL30257143 0.79 PPARG (0.41) PPARGAKT1PIK3CAMTORUSP2
SCHEMBL23949229 0.79 PPARG (0.41) PPARGAKT1PIK3CAMTORUSP2
SCHEMBL25058814 0.78 PPARG (0.56) PPARGMTORP2RX7RORCSLC6A9
SCHEMBL23949662 0.77 PIK3CD (0.52) PPARGPIK3CATDP1P2RX7RORC
SCHEMBL23949225 0.73 AKT1 (0.44) PPARGAKT1EGLN1CYP3A4
SCHEMBL20694087 0.73 KMT2A (0.58) TSHRLMNAMAPTHTTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN disclosed
EP-4137481-A1 ARYL OR HETEROARYL DERIVATIVE Teijin Pharma Limited (JP) 2023-02-22 EP disclosed
EP-4137481-A1 ARYL OR HETEROARYL DERIVATIVE Teijin Pharma Limited (JP) 2023-02-22 EP disclosed
WO-2021210650-A1 ARYL OR HETEROARYL DERIVATIVE 帝人ファーマ株式会社 2021-10-21 WO disclosed