SCHEMBL23623635

SCHEMBL23623635

CCc1ccc(-c2nc(CN)n[nH]2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
ALDH1A1 P00352 3/20 0.42
DCUN1D1 Q96GG9 1/20 0.38
ALPL P05186 3/20 0.37
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CHEK1 O14757 1/20 0.35
PTGS2 P35354 1/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 2/20 0.34
ALOX15 P16050 1/20 0.34
MPI P34949 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TSHR P16473 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
SCHEMBL23623354 0.79 ALDH1A1 (0.66) GAAALDH1A1DCUN1D1ALPLKDM4E
Hydrochloric Acid SCHEMBL23611744 0.78 ALDH1A1 (0.64) GAAALDH1A1DCUN1D1ALPLKDM4E
Hydrochloric Acid SCHEMBL29930615 0.78 ALDH1A1 (0.64) GAAALDH1A1DCUN1D1ALPLKDM4E
SCHEMBL23623351 0.75 ALDH1A1 (0.46) GAAALDH1A1DCUN1D1ALPLKDM4E
SCHEMBL5510771 0.74 ALDH1A1 (0.39) GAAALDH1A1KDM4EHSD17B10PTGS2
Hydrochloric Acid SCHEMBL23611749 0.74 ALDH1A1 (0.45) GAAALDH1A1DCUN1D1ALPLKDM4E
Hydrochloric Acid SCHEMBL29930850 0.74 ALDH1A1 (0.45) GAAALDH1A1DCUN1D1ALPLKDM4E
SCHEMBL3829569 0.70 CA2 (0.51) GAAALDH1A1KDM4EATMLMNA
SCHEMBL1375843 0.69 NPC1 (0.75) ALDH1A1DCUN1D1ALPLLMNASMN1; SMN2
SCHEMBL3825183 0.68 CA2 (0.51) GAAALDH1A1KDM4EHSD17B10ATM

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-2021138540-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER BERG LLC (US) 2021-07-08 WO disclosed