SCHEMBL30130741

SCHEMBL30130741

CCN(C(=O)c1cc(Cl)ccc1Oc1cncnc1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
GRM5 P41594 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPBAR1 Q8TDU6 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARG P37231 4/20 0.39
KCNH2 Q12809 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
FFAR1 O14842 1/20 0.37
PTGER4 P35408 1/20 0.36

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
SCHEMBL24711071 1.00 TSHR (0.41) TSHRGRM5ALDH1A1LMNATP53
SCHEMBL19693650 0.86 MEN1 (0.46) GRM5MEN1KMT2AKCNH2CYP1A2
SCHEMBL30130720 0.86 MEN1 (0.43) TSHRALDH1A1LMNATP53ALOX15
SCHEMBL24711385 0.86 MEN1 (0.43) TSHRALDH1A1LMNATP53ALOX15
SCHEMBL30130735 0.84 TSHR (0.40) TSHRALDH1A1LMNATP53ALOX15
SCHEMBL30121339 0.80 MEN1 (0.44) MEN1KMT2AKCNH2
SCHEMBL19693503 0.75 KMT2A (0.51) GPBAR1MEN1KMT2AKCNH2
SCHEMBL25006784 0.75 PSMB5 (0.35) GPBAR1MEN1KMT2ACYP1A2
SCHEMBL24981612 0.75 MEN1 (0.39) GRM5GPBAR1MEN1KMT2AKCNH2
SCHEMBL29946706 0.75 MEN1 (0.39) GRM5GPBAR1MEN1KMT2AKCNH2

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-2022257047-A1 DIAZASPIROBICYLIC COMPOUNDS AS PROTEIN-PROTEIN INTERACTION INHIBITORS AND APPLICATIONS THEREOF ACERAND THERAPEUTICS (HONG KONG) LIMITED (CN) 2022-12-15 WO disclosed