SCHEMBL9449744

SCHEMBL9449744

CC(=O)Cc1c(C(=O)O)[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.63
ALDH1A1 P00352 5/20 0.63
FOLH1 Q04609 1/20 0.63
HTT P42858 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 1/20 0.56
MCL1 Q07820 3/20 0.56
CYP3A4 P08684 2/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
HPGD P15428 1/20 0.53

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
SCHEMBL29756470 0.89 KDM4E (0.51) KDM4EALDH1A1FOLH1HTTHSD17B10
SCHEMBL21808612 0.89 KDM4E (0.51) KDM4EALDH1A1FOLH1HTTHSD17B10
SCHEMBL7463580 0.87 KDM4E (0.71) KDM4EALDH1A1FOLH1HTTHSD17B10
SCHEMBL3069354 0.84 KDM4E (0.68) KDM4EALDH1A1FOLH1HTTHSD17B10
SCHEMBL1093663 0.83 KDM4E (0.67) KDM4EALDH1A1FOLH1HTTHSD17B10
SCHEMBL7905354 0.83 EGFR (0.66) KDM4EALDH1A1FOLH1HTTHSD17B10
SCHEMBL13701155 0.83 KDM4E (0.71) KDM4EALDH1A1FOLH1HTTHSD17B10
SCHEMBL7431193 0.83 ALDH1A1 (0.55) KDM4EALDH1A1FOLH1HTTHSD17B10
SCHEMBL5002301 0.83 KDM4E (0.61) KDM4EALDH1A1FOLH1HTTHSD17B10
SCHEMBL17683584 0.82 HTR2A (0.56) KDM4EALDH1A1GAAMAPTCASP1

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
US-5229413-A Nervous system disorders G. D. SEARLE & CO. (US) 1993-07-20 US disclosed
US-5137910-A Compositions containing indole-2-carboxylate compounds for treatment of CNS disorders C.D. SEARLE & CO. (US) 1992-08-11 US disclosed