SCHEMBL26463529

SCHEMBL26463529

Cc1ccc(Cl)c(-c2cc(C(F)(F)F)ccc2C)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.47
KIF11 P52732 2/20 0.42
NOTUM Q6P988 1/20 0.41
PDE2A O00408 6/20 0.41
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSD11B1 P28845 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PTPN1 P18031 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL10343150 0.84 PLA2G7 (0.47) ALDH1A1L3MBTL1CYP1A2LMNATP53
SCHEMBL19785385 0.82 PDE2A (0.47) MCL1PDE2AALDH1A1L3MBTL1CYP1A2
SCHEMBL278031 0.77 S1PR4 (0.45) ALDH1A1TP53
SCHEMBL3664940 0.76 MCL1 (0.36) MCL1KIF11PDE2AALDH1A1L3MBTL1
SCHEMBL26463954 0.76 FFAR4 (0.50) PDE2A
SCHEMBL278431 0.76 FFAR4 (0.50) PDE2A
SCHEMBL21122207 0.76 NOTUM (0.49) KIF11NOTUMPDE2ACYP1A2LMNA
SCHEMBL171040 0.76 PDE2A (0.50) MCL1KIF11PDE2AALDH1A1L3MBTL1
SCHEMBL1133080 0.75 MAPT (0.46) KIF11NOTUMHSP90AA1TP53MAPT
SCHEMBL169007 0.74 PDE2A (0.53) MCL1KIF11PDE2AALDH1A1L3MBTL1

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-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed