SCHEMBL7396451

SCHEMBL7396451

Nc1cc(-c2ccccc2)ccc1OC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
ACLY P53396 1/20 0.41
MAOA P21397 1/20 0.39
KIF11 P52732 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL28929835 0.86 HSD17B10 (0.46) MAPTHSD17B10MEN1KMT2AKDM4E
SCHEMBL12953530 0.81 CYP1A2 (0.50) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL29699525 0.79 KMO (0.51) MAPTLMNAACLYKIF11
SCHEMBL27699671 0.79 ACLY (0.41) MAPTKMT2AKDM4EALDH1A1LMNA
SCHEMBL13581015 0.77 KIF11 (0.41) MAPTKDM4EGAAKIF11AURKA
SCHEMBL16098500 0.77 IGF2BP2 (0.52) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL16098765 0.77 PTPN1 (0.50) MAPTMEN1KMT2APTPN1IGF2BP2
SCHEMBL13581244 0.76 FFAR4 (0.44) KIF11HDAC2
SCHEMBL330530 0.76 ALDH1A1 (0.55) MAPTHSD17B10MEN1KMT2AKDM4E
SCHEMBL6572975 0.75 ALOX5 (0.52) MAPTHSD17B10MEN1KMT2AKDM4E

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-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 WO disclosed