SCHEMBL24977229

SCHEMBL24977229

O=Cc1cc(-c2ccc(Oc3ccccc3)cc2)c2cc(C(=O)N3CCOCC3)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.48
RAB9A P51151 3/20 0.46
ERN1 O75460 4/20 0.45
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BTK Q06187 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42

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
SCHEMBL31428605 1.00 GRM2 (0.48) GRM2RAB9AERN1HSD17B10MEN1
SCHEMBL31428711 0.91 GRM2 (0.51) GRM2ERN1ALDH1A1HPGDHTT
SCHEMBL31428980 0.87 MEN1 (0.47) GRM2RAB9AHSD17B10MEN1KMT2A
SCHEMBL24975625 0.87 MEN1 (0.47) GRM2RAB9AHSD17B10MEN1KMT2A
SCHEMBL31428671 0.86 HPGD (0.50) GRM2ERN1ALDH1A1HPGD
SCHEMBL31428481 0.85 ERN1 (0.52) GRM2RAB9AERN1MEN1KMT2A
SCHEMBL31428712 0.85 GRM2 (0.49) GRM2ERN1ALDH1A1HPGD
SCHEMBL24975793 0.83 GRM2 (0.47) GRM2RAB9AERN1HSD17B10MEN1
SCHEMBL31428507 0.83 GRM2 (0.47) GRM2RAB9AERN1HSD17B10MEN1
SCHEMBL31428784 0.83 MAPT (0.52) GRM2ERN1MEN1KMT2AALDH1A1

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