SCHEMBL3704489

SCHEMBL3704489

Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCN(C)CC4)c3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 1.00
HPGD P15428 9/20 1.00
HSD17B10 Q99714 2/20 1.00
HTT P42858 1/20 1.00
KDM4E B2RXH2 9/20 0.73
TSHR P16473 5/20 0.66
TP53 P04637 1/20 0.66
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
LMNA P02545 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
GAA P10253 2/20 0.61
POLB P06746 2/20 0.60
USP2 O75604 2/20 0.58

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
SCHEMBL4203906 0.91 HPGD (0.83) ALDH1A1HPGDHSD17B10HTTKDM4E
SCHEMBL4200861 0.90 HPGD (0.82) ALDH1A1HPGDHSD17B10HTTKDM4E
SCHEMBL4205005 0.89 ALDH1A1 (0.80) ALDH1A1HPGDHSD17B10HTTKDM4E
SCHEMBL4200844 0.85 ALDH1A1 (0.74) ALDH1A1HPGDHSD17B10HTTKDM4E
SCHEMBL4204293 0.85 KDM4E (1.00) ALDH1A1HPGDHSD17B10HTTKDM4E
SCHEMBL4211070 0.85 HPGD (1.00) ALDH1A1HPGDHSD17B10HTTKDM4E
SCHEMBL4208747 0.84 ALDH1A1 (0.73) ALDH1A1HPGDHSD17B10HTTKDM4E
SCHEMBL4216054 0.83 ALDH1A1 (0.71) ALDH1A1HPGDHSD17B10HTTKDM4E
SCHEMBL4216052 0.82 ALDH1A1 (0.76) ALDH1A1HPGDHSD17B10HTTKDM4E
SCHEMBL31351815 0.82 HPGD (0.71) ALDH1A1HPGDHSD17B10HTTKDM4E

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-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO claimed
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO disclosed