SCHEMBL29585960

SCHEMBL29585960

COc1cc(-c2cc(C(=O)N3CCC(C(=O)NCC4(O)CC4)CC3)n[nH]2)c(Cl)cn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 3/20 0.44
▸ KDM5A P29375 12/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ KDM5B Q9UGL1 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM5C P41229 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL29243339 1.00 SMO (0.44) SMOKDM5AMEN1ALDH1A1KMT2A
SCHEMBL29243721 0.98 SMO (0.48) SMOKDM5AMEN1ALDH1A1KMT2A
SCHEMBL29585348 0.98 SMO (0.48) SMOKDM5AMEN1ALDH1A1KMT2A
SCHEMBL24424532 0.97 SMO (0.45) SMOKDM5AMEN1ALDH1A1KMT2A
SCHEMBL29585000 0.95 SMO (0.41) SMOKDM5AMEN1ALDH1A1KMT2A
SCHEMBL29243755 0.93 SMO (0.39) SMOKDM5AMEN1ALDH1A1KMT2A
SCHEMBL29243803 0.90 KMT2A (0.39) SMOKDM5AMEN1ALDH1A1KMT2A
SCHEMBL29243871 0.90 KDM5A (0.37) SMOKDM5AMEN1ALDH1A1KMT2A
SCHEMBL29585581 0.90 KDM5A (0.37) SMOKDM5AMEN1ALDH1A1KMT2A
SCHEMBL30630679 0.90 KMT2A (0.39) SMOKDM5AMEN1ALDH1A1KMT2A

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
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