SCHEMBL8979485

SCHEMBL8979485

COc1cccc([CH]c2cc(Cl)ccc2NC(=O)C(C)(C)C)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 4/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.41
MAPT P10636 2/20 0.41
GRIK1 P39086 1/20 0.41
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LPAR1 Q92633 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
CYP1A1 P04798 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
SCHEMBL8979498 0.81 MAPT (0.47) KMT2AMEN1KDM4ELMNAHPGD
SCHEMBL5520431 0.79 MEN1 (0.49) KMT2AMEN1RAB9AKDM4ELMNA
SCHEMBL8979487 0.78 FPR1 (0.48) KMT2AMEN1KDM4ELMNAALOX12
SCHEMBL8560596 0.77 LPAR1 (0.47) KMT2AMEN1RAB9AKDM4ELMNA
SCHEMBL8566775 0.77 LPAR1 (0.47) KMT2AMEN1RAB9AKDM4ELMNA
SCHEMBL8567301 0.77 LPAR1 (0.47) KMT2AMEN1RAB9AKDM4ELMNA
SCHEMBL6993599 0.76 KMT2A (0.55) KMT2AMEN1RAB9AKDM4ELMNA
SCHEMBL8564979 0.75 GAA (0.45) KMT2AMEN1RAB9AKDM4ELMNA
SCHEMBL8557914 0.75 KMT2A (0.45) KMT2AMEN1RAB9AKDM4ELMNA
SCHEMBL8557908 0.75 KMT2A (0.45) KMT2AMEN1RAB9AKDM4ELMNA

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
EP-0710725-A1 Production of optically active compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed