SCHEMBL24975437

SCHEMBL24975437

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
MAPK1 P28482 9/20 0.33
GRM2 Q14416 1/20 0.33
ESR2 Q92731 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
CREBBP Q92793 4/20 0.31
QRFPR Q96P65 2/20 0.31
BRD4 O60885 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
SCHEMBL31429042 1.00 HSD11B1 (0.33) HSD11B1MAPK1GRM2ESR2NR1H4
SCHEMBL31428802 0.97 HSD11B1 (0.33) HSD11B1MAPK1GRM2NR1H4PIK3CA
SCHEMBL24975440 0.97 HSD11B1 (0.33) HSD11B1MAPK1GRM2NR1H4PIK3CA
SCHEMBL24975466 0.91 QRFPR (0.34) HSD11B1MAPK1GRM2ESR2NR1H4
SCHEMBL30163591 0.91 QRFPR (0.34) HSD11B1MAPK1GRM2ESR2NR1H4
SCHEMBL24975483 0.88 HSD11B1 (0.34) HSD11B1MAPK1GRM2NR1H4PIK3CA
SCHEMBL31428683 0.88 HSD11B1 (0.34) HSD11B1MAPK1GRM2NR1H4PIK3CA
SCHEMBL31428527 0.87 UCHL1 (0.38) HSD11B1CREBBPBRD4
SCHEMBL24975829 0.87 MAPK1 (0.32) HSD11B1MAPK1NR1H4CREBBP
SCHEMBL31428620 0.87 MAPK1 (0.32) HSD11B1MAPK1NR1H4CREBBP

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