SCHEMBL30780916

SCHEMBL30780916

Nc1ccc(OCC(F)(F)F)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 3/20 0.52
USP2 O75604 2/20 0.52
CASP1 P29466 2/20 0.52
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52
THRB P10828 1/20 0.52
G6PD P11413 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MRGPRX4 Q96LA9 7/20 0.51
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
PPARA Q07869 1/20 0.39
HTT P42858 2/20 0.39
POLB P06746 2/20 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
SCHEMBL2564423 1.00 MAPT (0.52) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1771501 0.83 ALDH1A1 (0.68) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10969215 0.83 ALDH1A1 (0.57) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL22000046 0.81 TDP1 (0.51) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2565629 0.80 ALDH1A1 (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2791295 0.80 ALDH1A1 (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL3824393 0.80 MEN1 (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL34472753 0.79 CYP3A4 (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10353102 0.79 CYP1A2 (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2565945 0.79 ALDH1A1 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed