SCHEMBL29584870

SCHEMBL29584870

COc1cc(-c2cc(C(=O)N3CCC[C@H](C(=O)NCc4cccc(Cl)c4)C3)n[nH]2)c(F)cn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.44
▸ ALK Q9UM73 1/20 0.44
▸ PKM P14618 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ KDM5A P29375 1/20 0.41
▸ LMNA P02545 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
SCHEMBL29243487 1.00 IGF1R (0.44) IGF1RALKPKML3MBTL1MAPT
SCHEMBL29243661 1.00 IGF1R (0.44) IGF1RALKPKML3MBTL1MAPT
SCHEMBL29585156 1.00 IGF1R (0.44) IGF1RALKPKML3MBTL1MAPT
SCHEMBL24424310 0.92 KMT2A (0.47) MAPTTP53THRBALDH1A1POLB
SCHEMBL29583230 0.92 KMT2A (0.47) MAPTTP53THRBALDH1A1POLB
SCHEMBL29585943 0.87 POLB (0.44) IGF1RALKPKML3MBTL1MAPT
SCHEMBL29585102 0.87 POLB (0.44) IGF1RALKPKML3MBTL1MAPT
SCHEMBL29585144 0.87 POLB (0.45) PKML3MBTL1MAPTALDH1A1POLB
SCHEMBL25090687 0.86 POLB (0.44) IGF1RALKMAPTPOLBKMT2A
SCHEMBL24422977 0.86 POLB (0.44) IGF1RALKMAPTPOLBKMT2A

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 3 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 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
Send feedback