SCHEMBL24975829

SCHEMBL24975829

CC(=O)N1CCc2cc(-c3cc(/C=C4/C(=O)c5ccccc5N4C(C)=O)nc4ccc(CN(C(=O)OC(C)(C)C)C5CCOCC5)cc34)ccc2C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.32
HSD11B1 P28845 1/20 0.32
CREBBP Q92793 2/20 0.31
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL31428620 1.00 MAPK1 (0.32) MAPK1HSD11B1CREBBPNR1H4
SCHEMBL31428691 0.90 UCHL1 (0.35) HSD11B1CREBBP
SCHEMBL31428693 0.88 ALDH1A1 (0.33) MAPK1HSD11B1NR1H4
SCHEMBL24976132 0.87 ALDH1A1 (0.34) MAPK1HSD11B1NR1H4
SCHEMBL31429042 0.87 HSD11B1 (0.33) MAPK1HSD11B1CREBBPNR1H4
SCHEMBL24975437 0.87 HSD11B1 (0.33) MAPK1HSD11B1CREBBPNR1H4
SCHEMBL24976131 0.86 MAPK1 (0.31) MAPK1
SCHEMBL31428785 0.85 PDE9A (0.34) MAPK1CREBBPNR1H4
SCHEMBL31429096 0.84 PDCD1 (0.40) MAPK1
SCHEMBL24975440 0.84 HSD11B1 (0.33) MAPK1HSD11B1CREBBPNR1H4

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-2023008577-A1 RAS/RAF BINDING INHIBITOR COMPOUND 国立大学法人神戸大学 2023-02-02 WO disclosed