SCHEMBL31737736

SCHEMBL31737736

COc1ccc(C)c(NC(=O)c2cnc(Cl)nc2Cl)c1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 12/20 0.44
▸ NFKB1 P19838 4/20 0.44
▸ JUN P05412 2/20 0.44
▸ NFKB2 Q00653 2/20 0.44
▸ RELA Q04206 2/20 0.44
▸ PDE4B Q07343 11/20 0.43
▸ PDE4A P27815 10/20 0.43
▸ PDE4C Q08493 10/20 0.43
▸ CHRNA7 P36544 1/20 0.41
▸ ATF1 P18846 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE11A Q9HCR9 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 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
SCHEMBL31737724 0.85 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CCHRNA7
SCHEMBL30962633 0.85 NFKB1 (0.42) PDE4DNFKB1JUNNFKB2RELA
SCHEMBL31430773 0.83 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL2949398 0.81 RXFP1 (0.51) NFKB1JUNNFKB2RELACHRNA7
SCHEMBL31430866 0.79 MAPT (0.46) PDE4DPDE4BPDE4APDE4CCHRNA7
SCHEMBL22145720 0.79 NFKB1 (0.54) NFKB1JUNNFKB2RELACHRNA7
SCHEMBL30962677 0.78 NFKB1 (0.37) PDE4DNFKB1JUNNFKB2RELA
SCHEMBL22807419 0.78 CHRNA7 (0.54) CHRNA7
SCHEMBL29549418 0.78 CHRNA7 (0.54) CHRNA7
SCHEMBL30962658 0.76 NFKB1 (0.42) PDE4DNFKB1JUNNFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242880-A1 THERAPEUTIC COMPOUNDS AND THEIR USE MY-T BIO LIMITED (GB) 2025-11-27 — — WO disclosed
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