SCHEMBL29952233

SCHEMBL29952233

COc1cc(Cl)nc(C=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 5/20 0.39
NFE2L2 Q16236 2/20 0.38
ERN1 O75460 3/20 0.37
CYP2A6 P11509 1/20 0.36
TERT O14746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
TRIM24 O15164 1/20 0.34
TYR P14679 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APP P05067 1/20 0.34
GFER P55789 1/20 0.33

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
SCHEMBL29956166 0.86 ALDH1A1 (0.46) MAPTALDH1A1ERN1CYP2A6TERT
SCHEMBL901928 0.79 ALDH1A1 (0.53) MAPTALDH1A1CYP2A6MEN1KMT2A
SCHEMBL8127634 0.78 L3MBTL1 (0.40) MAPTALDH1A1ERN1CYP2A6TERT
SCHEMBL20773114 0.78 MAPT (0.40) MAPTALDH1A1ERN1CYP2A6TERT
SCHEMBL26644028 0.77 MAPT (0.39) MAPTALDH1A1ERN1CYP2A6TERT
SCHEMBL30644442 0.77 MAPT (0.39) MAPTALDH1A1ERN1CYP2A6TERT
SCHEMBL18399227 0.77 ALDH1A1 (0.33) MAPTALDH1A1NFE2L2ERN1TERT
SCHEMBL25187916 0.74 ALDH1A1 (0.41) MAPTALDH1A1ERN1CYP2A6TERT
SCHEMBL29953532 0.74 ALDH1A1 (0.41) MAPTALDH1A1ERN1CYP2A6TERT
SCHEMBL31148379 0.73 MAPT (0.36) MAPTALDH1A1ERN1CYP2A6TERT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024258897-A1 ALKOXYPYRIDINYL AND RELATED COMPOUNDS AND THEIR USE IN THERAPY DEM BIOPHARMA, INC. (US) 2024-12-19 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed