SCHEMBL8887539

SCHEMBL8887539

COc1ccc(-c2nc(-c3cc4c(cc3O)NC(=O)CC4)cs2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.58
▸ MAPT P10636 8/20 0.58
▸ MEN1 O00255 6/20 0.58
▸ KMT2A Q03164 6/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ RAB9A P51151 4/20 0.58
▸ POLB P06746 3/20 0.58
▸ GAA P10253 2/20 0.58
▸ CYP19A1 P11511 2/20 0.48
▸ CYP11B1 P15538 2/20 0.48
▸ CYP11B2 P19099 2/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ MMP12 P39900 1/20 0.46
▸ HTT P42858 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ PLAU P00749 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6198593 0.86 MAPT (0.52) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6196901 0.86 MAPT (0.64) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6200730 0.77 MAPT (0.55) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7501066 0.77 MAPT (0.59) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL15668432 0.76 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6198889 0.75 ALDH1A1 (0.84) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7705050 0.75 MAPT (0.57) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6200789 0.75 MAPT (0.57) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6200117 0.74 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6199558 0.73 CYP1A1 (0.61) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 — — US disclosed
Send feedback