SCHEMBL30464792

SCHEMBL30464792

CCOC(=O)/C(Cl)=N/Nc1cc(Cl)ccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
GAA P10253 9/20 0.63
LMNA P02545 1/20 0.63
THRB P10828 1/20 0.63
KMT2A Q03164 6/20 0.60
MAPT P10636 7/20 0.56
ATM Q13315 2/20 0.56
MEN1 O00255 5/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 1/20 0.53
ABCB1 P08183 1/20 0.50
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 1/20 0.44
KYAT1 Q16773 1/20 0.43

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
SCHEMBL502388 0.89 ABCB1 (0.53) KDM4EGAALMNATHRBKMT2A
SCHEMBL10056749 0.89 ABCB1 (0.53) KDM4EGAALMNATHRBKMT2A
SCHEMBL502387 0.89 ABCB1 (0.53) KDM4EGAALMNATHRBKMT2A
SCHEMBL218433 0.83 GAA (0.64) KDM4EGAALMNATHRBKMT2A
SCHEMBL218432 0.83 GAA (0.64) KDM4EGAALMNATHRBKMT2A
SCHEMBL463556 0.82 MAPT (0.52) KDM4EGAALMNATHRBKMT2A
SCHEMBL14141132 0.81 CYP1A2 (0.50) KDM4EGAALMNATHRBKMT2A
SCHEMBL3560755 0.80 MEN1 (0.65) GAALMNAKMT2AMAPTATM
SCHEMBL16361794 0.80 MEN1 (0.65) GAALMNAKMT2AMAPTATM
SCHEMBL3560757 0.80 MEN1 (0.65) GAALMNAKMT2AMAPTATM

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-2023114977-A1 S1PR4 RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF TIAKI THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed