SCHEMBL26319783

SCHEMBL26319783

COc1cccc(Cl)c1-c1nc(C(=O)O)cs1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
EIF4E P06730 1/20 0.52
KDM4E B2RXH2 2/20 0.46
ACHE P22303 1/20 0.45
ECE1 P42892 2/20 0.44
CTSA P10619 2/20 0.43
FABP4 P15090 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
IRAK4 Q9NWZ3 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
SCHEMBL25410319 0.86 KDM4E (0.55) ALDH1A1KDM4EACHEHPGD
SCHEMBL3536356 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EACHEECE1CTSA
SCHEMBL30448183 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EACHEECE1CTSA
SCHEMBL2693587 0.80 PIM1 (0.51) ALDH1A1EIF4EKDM4EACHE
SCHEMBL5343313 0.79 ALDH1A1 (0.62) ALDH1A1EIF4EKDM4EACHEECE1
SCHEMBL27950277 0.78 ALDH1A1 (0.67) ALDH1A1KDM4EACHEECE1HPGD
SCHEMBL26319786 0.78 MAOA (0.57) ALDH1A1ACHEIRAK4
SCHEMBL3540886 0.76 HTR2C (0.43) EIF4E
SCHEMBL26319630 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EACHE
SCHEMBL3538271 0.75 HTR2C (0.64) ALDH1A1EIF4EKDM4EACHE

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-2023170024-A1 CAMK2 MODULATORS AND THEIR USE IN MEDICINE UNIVERSITY OF COPENHAGEN (DK) 2023-09-14 WO disclosed