SCHEMBL29586017

SCHEMBL29586017

O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.57
▸ UBE2M P61081 1/20 0.52
▸ DCUN1D1 Q96GG9 1/20 0.52
▸ MALT1 Q9UDY8 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALPL P05186 1/20 0.48
▸ ALPI P09923 1/20 0.48
▸ ALPG P10696 1/20 0.48
▸ KDM5A P29375 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.45
▸ TP53BP1 Q12888 1/20 0.44
▸ MEN1 O00255 1/20 0.44

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
SCHEMBL29243426 1.00 MGLL (0.57) MGLLUBE2MDCUN1D1MALT1SMN1; SMN2
SCHEMBL29243469 0.90 MGLL (0.53) MGLLUBE2MDCUN1D1SMN1; SMN2KMT2A
SCHEMBL29243779 0.89 KDM5A (0.58) MGLLKDM5ATRPV1TP53BP1
SCHEMBL29243869 0.86 UBE2M (0.58) UBE2MDCUN1D1SMN1; SMN2KMT2ATRPV1
SCHEMBL29243553 0.86 UBE2M (0.58) MGLLUBE2MDCUN1D1MALT1SMN1; SMN2
SCHEMBL29586579 0.86 UBE2M (0.58) MGLLUBE2MDCUN1D1MALT1SMN1; SMN2
SCHEMBL29584846 0.85 KMT2A (0.51) SMN1; SMN2KMT2AMEN1
SCHEMBL29243359 0.85 KMT2A (0.51) SMN1; SMN2KMT2AMEN1
SCHEMBL29243511 0.84 POLB (0.52) SMN1; SMN2KDM5A
SCHEMBL29243873 0.83 KMT2A (0.47) UBE2MDCUN1D1KMT2AKDM5ATP53BP1

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 2 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
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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