SCHEMBL9475223

SCHEMBL9475223

c1csc(C2CCOO2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BRD4 O60885 2/20 0.33
HPGD P15428 3/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL12096487 0.89 SMN1; SMN2 (0.36) KDM4ETSHRHTTMAPTSMN1; SMN2
SCHEMBL19690771 0.78
SCHEMBL7475896 0.75 KDM4E (0.42) KDM4ETSHRHTTMAPTSMN1; SMN2
SCHEMBL2044222 0.73 SMN1; SMN2 (0.43) KDM4ETSHRHTTMAPTSMN1; SMN2
SCHEMBL19354579 0.73
SCHEMBL1522730 0.73
SCHEMBL9396417 0.72 HSD17B10 (0.39) KDM4ETSHRHTTMAPTSMN1; SMN2
SCHEMBL28181487 0.72 SMN1; SMN2 (0.42) KDM4ETSHRHTTMAPTSMN1; SMN2
SCHEMBL454997 0.69 MAPT (0.43) KDM4ETSHRHTTMAPTSMN1; SMN2
SCHEMBL497608 0.69

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-5185363-A Administering for treatment of inflammatory diseases ABBOTT LABORATORIES (US) 1993-02-09 US disclosed