SCHEMBL7834767

SCHEMBL7834767

Nc1ccc(Cl)cc1OCC(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
ALDH1A1 P00352 5/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
KDM4E B2RXH2 3/20 0.61
ALOX15 P16050 2/20 0.61
HSD17B10 Q99714 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
USP2 O75604 1/20 0.61
HSP90AA1 P07900 1/20 0.61
HSP90AB1 P08238 1/20 0.61
THRB P10828 1/20 0.61
G6PD P11413 1/20 0.61
CASP1 P29466 1/20 0.61
TSHR P16473 3/20 0.42
CYP3A4 P08684 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
SCN9A Q15858 1/20 0.39
HPGD P15428 2/20 0.38

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
SCHEMBL7832979 0.86 MAPT (0.61) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL22471040 0.81 MAPT (0.66) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7833185 0.80 ALDH1A1 (0.63) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7821233 0.80 ALDH1A1 (0.63) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8232189 0.79 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL16422450 0.79 MAPT (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL12067231 0.79 ALDH1A1 (0.61) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL20526576 0.79 ALDH1A1 (0.61) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7830384 0.79 ALDH1A1 (0.61) MAPTALDH1A1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL7836750 0.79 ALDH1A1 (0.61) MAPTALDH1A1MEN1KMT2AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748800-B1 Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2001-05-09 EP disclosed
US-5859014-A USEFUL IN TREATMENT OF DISEASES INVOLVING DIRECTLY OR INDIRECTLY AN OBSTRUCTION OF THE LOWER URINARY TRACT, SUCH ASBENIGN PROSTATE HYPERPLASIA SYNTEX (U.S.A.) INC. (US) 1999-01-12 US disclosed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 EP disclosed