SCHEMBL9356002

SCHEMBL9356002

COc1cc(OC)cc(C(=S)N2CCOCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.69
ALDH1A1 P00352 7/20 0.62
HPGD P15428 4/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
ATM Q13315 1/20 0.54
ALOX15 P16050 1/20 0.54
MGLL Q99685 1/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL13186487 0.83 ALDH1A1 (0.78) MAPTALDH1A1HPGDSMN1; SMN2KMT2A
Tritiozine SCHEMBL1170764 0.81 MAPT (1.00) MAPTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL6456595 0.81 L3MBTL1 (0.73) ALDH1A1HPGDSMN1; SMN2KMT2AKDM4E
SCHEMBL9174229 0.77 ALDH1A1 (1.00) MAPTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL9356116 0.76 MAPT (0.68) MAPTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL9356614 0.75 MAPT (0.76) MAPTALDH1A1HPGDSMN1; SMN2KMT2A
Vanitiolide SCHEMBL1643547 0.74 ALDH1A1 (1.00) MAPTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL10780664 0.74 ALDH1A1 (0.60) MAPTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL19357090 0.72 L3MBTL1 (0.71) ALDH1A1SMN1; SMN2KMT2ALMNAATM
SCHEMBL3576242 0.72 L3MBTL1 (0.64) ALDH1A1HPGDSMN1; SMN2KMT2AKDM4E

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-0492484-B1 Substituted N-[phenyl-(thioxomethyl)]-morpholine derivatives, a process for preparing them as well as compositions containing these compounds and the use of them EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1994-11-09 EP disclosed