SCHEMBL7489529

SCHEMBL7489529

COc1ccc(-c2nc(CCl)nc3sc(C)c(C)c23)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ LIMK1 P53667 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ KDR P35968 2/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ SLC10A2 Q12908 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ DHFR P00374 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ PDGFRB P09619 1/20 0.35

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
SCHEMBL7490464 0.86 LMNA (0.41) ALDH1A1KDM4ELMNAMAPTPOLB
SCHEMBL7487377 0.84 LMNA (0.40) ALDH1A1KDM4ELMNAMAPTPOLB
Dimethylamine SCHEMBL7490478 0.81 POLB (0.44) ALDH1A1KDM4ELMNAMAPTPOLB
Diethylamine SCHEMBL7488798 0.81 MAPT (0.42) ALDH1A1KDM4ELMNAMAPTPOLB
SCHEMBL7819852 0.72 WHR1 (0.48) ALDH1A1KDM4ETDP1MAPTL3MBTL1
SCHEMBL7493208 0.71 SLC10A2 (0.50) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL9563393 0.70 SLC10A2 (0.49) ALDH1A1KDM4ETDP1LMNAMAPT
Diethylamine SCHEMBL7484722 0.67 ABCG2 (0.51) ALDH1A1LMNAMAPTGAASLC10A2
SCHEMBL10690098 0.63 L3MBTL1 (0.51) ALDH1A1KDM4ELMNAMAPTL3MBTL1
SCHEMBL11754747 0.63 L3MBTL1 (0.48) ALDH1A1KDM4ETDP1LMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0791000-B1 THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-02 — — EP disclosed
EP-0791000-A1 THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 1997-08-27 — — EP disclosed
WO-1996014319-A1 THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-17 — — WO disclosed
Send feedback