SCHEMBL9267602

SCHEMBL9267602

COc1ccc(N(C)C(=S)c2c(O)c3cc(OC)ccc3n(C)c2=S)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ BCHE P06276 2/20 0.39
▸ ACHE P22303 2/20 0.39
▸ TSHR P16473 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 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
SCHEMBL9287071 0.81 ALDH1A1 (0.42) MAPTSMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL9266139 0.81 MEN1 (0.54) MAPTSMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL8086963 0.79 GSK3B (0.43) SMN1; SMN2ALDH1A1KDM4EHTTHPGD
SCHEMBL9268657 0.77 KCNH2 (0.41) ALDH1A1
SCHEMBL10679151 0.77 KMT2A (0.60) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL10672221 0.71 MEN1 (0.56) MAPTSMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL9269052 0.71 HIF1A (0.43) MAPTSMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL10676615 0.70 MEN1 (0.71) MAPTSMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL9282960 0.69 GSK3B (0.43) SMN1; SMN2ALDH1A1KDM4EHSD17B10HTT
SCHEMBL9287554 0.68 GSK3B (0.41) SMN1; SMN2ALDH1A1KDM4EHSD17B10HTT

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
WO-1995024395-A1 QUINOLINE DERIVATIVES AS IMMUNOMODULATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-14 — — WO disclosed
Send feedback