SCHEMBL6828668

SCHEMBL6828668

O=Cc1cccc(C(=O)Oc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TERT O14746 13/20 0.57
ALDH1A1 P00352 1/20 0.49
MAPT P10636 5/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMO O15229 1/20 0.40

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
SCHEMBL6831133 0.85 TERT (0.58) TERTALDH1A1MAPTGAACYP1A2
SCHEMBL6831103 0.81 TERT (0.57) TERTALDH1A1MAPTGAACYP1A2
SCHEMBL6829502 0.79 ALDH1A1 (0.74) TERTALDH1A1MAPTGAACYP1A2
SCHEMBL6829097 0.79 TERT (0.58) TERTALDH1A1MAPTGAACYP1A2
SCHEMBL6826477 0.79 TERT (0.65) TERTALDH1A1MAPTGAACYP1A2
SCHEMBL6830993 0.78 TERT (0.48) TERTALDH1A1MAPTCYP1A2
SCHEMBL6828768 0.76 ALDH1A1 (0.52) TERTALDH1A1MAPTGAACYP1A2
SCHEMBL6925421 0.74 GRM4 (0.59) TERTALDH1A1MAPTGAANPC1
SCHEMBL6830042 0.73 TERT (1.00) TERTALDH1A1
SCHEMBL2348998 0.71 TERT (0.55) TERTMAPTGAACYP1A2RECQL

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-2004037808-A1 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2004-05-06 WO disclosed