SCHEMBL26945697

SCHEMBL26945697

Cc1c(O)nn(CCO)c1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
BRD4 O60885 1/20 0.34
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
BCHE P06276 1/20 0.33
P2RX7 Q99572 1/20 0.32
ATM Q13315 1/20 0.31
APAF1 O14727 1/20 0.31
GLS O94925 1/20 0.31

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
SCHEMBL23403490 0.83 ADORA2A (0.37) ALDH1A1APAF1GLS
SCHEMBL12121227 0.80 ALDH1A1 (0.53) ALDH1A1HTTBRD4GAACYP1A2
SCHEMBL23402270 0.79 NR1H3 (0.37) ALDH1A1GAACYP1A2ATM
SCHEMBL23399529 0.77 LMNA (0.38) ALDH1A1HTTAPAF1
SCHEMBL26944155 0.77 CSNK2A2 (0.35) ALDH1A1HTTBRD4GAACYP1A2
SCHEMBL23399089 0.72 APAF1 (0.44) ALDH1A1APAF1
SCHEMBL12124398 0.72 KDM4E (0.38) ALDH1A1HTTGAABCHE
SCHEMBL26940067 0.71 ATM (0.43) ALDH1A1HTTATM
SCHEMBL6920216 0.68 APAF1 (0.50) ALDH1A1HTTGAACYP1A2ATM
SCHEMBL12479057 0.68 GAA (0.56) ALDH1A1HTTBRD4GAACYP1A2

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-2023240138-A1 INDAZOLE CONTAINING MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed