SCHEMBL10430486

SCHEMBL10430486

COc1ccc(-c2nc(CNC(=N)N(C)C)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 4/20 0.49
GAA P10253 3/20 0.49
LMNA P02545 2/20 0.49
PTGS2 P35354 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
PPARD Q03181 10/20 0.43
PKM P14618 1/20 0.41
MAPK14 Q16539 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
Hydrochloric Acid SCHEMBL9547996 0.84 PTGS2 (0.50) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL9451959 0.81 ALDH1A1 (0.62) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL9451876 0.80 ALDH1A1 (0.54) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL9451865 0.79 ALDH1A1 (0.53) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL9451943 0.79 MAPT (0.49) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL9451931 0.78 PTGS2 (0.58) MAPTALDH1A1KDM4EGAALMNA
Hydrochloric Acid SCHEMBL9547998 0.78 MAPT (0.68) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL9451908 0.76 MAPT (0.50) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL9452021 0.76 PTGS2 (0.56) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL9451935 0.76 ALDH1A1 (0.50) MAPTALDH1A1KDM4EGAALMNA

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-0377457-A1 Thiazole compounds, processes for the preparation thereof, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-07-11 EP claimed