SCHEMBL9868548

SCHEMBL9868548

CSc1c(C)[nH]c2cc(SC(F)(F)F)ccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ PTGS2 P35354 6/20 0.41
▸ PTGS1 P23219 4/20 0.41
▸ MAPT P10636 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CRHBP P24387 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ PDE2A O00408 4/20 0.32
▸ ENPP2 Q13822 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
SCHEMBL9868374 0.80 PTGS2 (0.43) SMN1; SMN2LMNAKDM4EPTGS2PTGS1
SCHEMBL6225217 0.79 LMNA (0.51) SMN1; SMN2LMNAKDM4EPTGS2PTGS1
SCHEMBL9869161 0.76 KDM4E (0.53) SMN1; SMN2LMNAKDM4EMAPTALDH1A1
SCHEMBL10481567 0.70 KDM4E (0.50) SMN1; SMN2LMNAKDM4EPTGS2PTGS1
SCHEMBL22519204 0.69 F2 (0.47) SMN1; SMN2LMNAKDM4EMAPTALDH1A1
SCHEMBL11664527 0.65 KIF11 (0.48) SMN1; SMN2PTGS2PTGS1MAPT
SCHEMBL31294846 0.64 BRD4 (0.51) SMN1; SMN2KDM4EMAPTALDH1A1HSD17B10
SCHEMBL9868190 0.63 SMN1; SMN2 (0.34) SMN1; SMN2LMNAKDM4EMAPTALDH1A1
SCHEMBL28099030 0.62 MAPT (0.62) SMN1; SMN2KDM4EMAPTALDH1A1HSD17B10
SCHEMBL25513553 0.60 KDM4E (0.44) KDM4EHSD17B10L3MBTL1

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-1991002724-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-03-07 — — WO disclosed
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