SCHEMBL29583511

SCHEMBL29583511

COc1cc(-c2cc(C(=O)N3CC[C@@H](C(=O)NCc4cccc(Cl)c4)C[C@H]3C)n[nH]2)c(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ BTK Q06187 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ LMNA P02545 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
SCHEMBL24423587 1.00 POLB (0.42) POLBKMT2AMAPTCCNT1CDK9
SCHEMBL29584074 1.00 POLB (0.42) POLBKMT2AMAPTCCNT1CDK9
SCHEMBL24424422 1.00 POLB (0.42) POLBKMT2AMAPTCCNT1CDK9
SCHEMBL24424150 0.90 POLB (0.44) POLBKMT2AMAPTCCNT1CDK9
SCHEMBL29583332 0.90 POLB (0.44) POLBKMT2AMAPTCCNT1CDK9
SCHEMBL24422946 0.89 KMT2A (0.49) POLBKMT2AMAPTMEN1TSHR
SCHEMBL29584116 0.89 KMT2A (0.49) POLBKMT2AMAPTMEN1TSHR
SCHEMBL24424163 0.87 THRB (0.42) POLBIGF1RALKROCK2ROCK1
SCHEMBL24424165 0.87 THRB (0.42) POLBIGF1RALKROCK2ROCK1
SCHEMBL24424164 0.87 THRB (0.42) POLBIGF1RALKROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 — — EP claimed
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 — — CN claimed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — WO claimed
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 — — EP disclosed
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 — — CN disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — WO disclosed
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