SCHEMBL8556775

SCHEMBL8556775

CO/C=C(\C(=O)O)c1csc2nc(-c3ccc(Cl)cc3Cl)cn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
CRHBP P24387 1/20 0.40
RAB9A P51151 1/20 0.40
CRHR2 Q13324 1/20 0.40
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
ALPL P05186 4/20 0.37
HPGD P15428 3/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.36
HPSE Q9Y251 1/20 0.36
PKM P14618 1/20 0.35
SHMT1 P34896 3/20 0.35
SHMT2 P34897 2/20 0.35
EIF4E P06730 1/20 0.35
MEN1 O00255 1/20 0.34
PPARG P37231 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8556781 1.00 KDM4E (0.40) KDM4ESMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL8553030 0.85 THRB (0.42) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8553036 0.85 THRB (0.42) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8553904 0.81 THRB (0.40) KDM4ESMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL8555297 0.76 THRB (0.43) MAPTTP53
SCHEMBL8554248 0.73 MAPT (0.43) KDM4EMAPTPOLBTP53LMNA
SCHEMBL8552141 0.72 MAPK1 (0.31)
SCHEMBL8552144 0.72 MAPK1 (0.31)
SCHEMBL9709798 0.67 PRKD3 (0.40) KDM4ESMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL7944695 0.67 TSHR (0.53) KDM4ESMN1; SMN2NPC1RAB9AMAPT

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-0554957-B1 Thiazole derivatives of alkoxyacrylates with a fungicidal activity MINI RICERCA SCIENT TECNOLOG (IT) 1998-04-15 EP claimed