SCHEMBL8979498

SCHEMBL8979498

COc1ccc([CH]c2cc(Cl)ccc2NC(=O)C(C)(C)C)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DCLK1 O15075 1/20 0.43
FES P07332 1/20 0.43
PIM1 P11309 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 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
SCHEMBL8979485 0.81 NFE2L2 (0.43) MAPTLMNAHPGDNPC1SMN1; SMN2
SCHEMBL14254903 0.79 TSHR (0.68) MAPTLMNAHPGDNPC1SMN1; SMN2
SCHEMBL6993599 0.77 KMT2A (0.55) MAPTLMNASMN1; SMN2TSHRALDH1A1
SCHEMBL8979503 0.77 ALDH1A1 (0.51) MAPTLMNAHPGDSMN1; SMN2TSHR
SCHEMBL8567550 0.75 KDM4E (0.46) MAPTLMNAHPGDL3MBTL1SMN1; SMN2
SCHEMBL5226002 0.75 TDP1 (0.54) MAPTLMNANPC1KDM4EGAA
SCHEMBL8567545 0.73 MAPT (0.42) MAPTLMNAHPGDSMN1; SMN2TSHR
SCHEMBL17084899 0.72 TRIM24 (0.51) MAPTLMNASMN1; SMN2TSHRALDH1A1
SCHEMBL30981444 0.72 TRIM24 (0.51) MAPTLMNASMN1; SMN2TSHRALDH1A1
SCHEMBL145083 0.71 CYP1A2 (0.76) MAPTHPGDTSHRALDH1A1KDM4E

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