SCHEMBL901110

SCHEMBL901110

Cc1ccc(SC(F)(F)F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTPRZ1 P23471 3/20 0.38
PTPN1 P18031 2/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
ACHE P22303 1/20 0.34
P2RX7 Q99572 1/20 0.33
KCNK2 O95069 1/20 0.32
KCNK10 P57789 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
SCHEMBL900729 0.83 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1TDP1PTPRZ1
SCHEMBL12828098 0.83 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1TDP1PTPRZ1
SCHEMBL13438977 0.82 HDAC1 (0.34) SMN1; SMN2KCNH2MAPTHDAC1HDAC6
SCHEMBL4126437 0.78 ACHE (0.40) SMN1; SMN2ALDH1A1MAPTTSHRHTT
SCHEMBL4137051 0.78 ACHE (0.40) SMN1; SMN2TDP1LMNAMAPTTSHR
SCHEMBL12775090 0.78 TDP1 (0.52) SMN1; SMN2KDM4EALDH1A1TDP1PTPRZ1
SCHEMBL9798590 0.78 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1TDP1PTPRZ1
SCHEMBL4417489 0.76 MAPT (0.40) KDM4EALDH1A1MAPTTSHRHDAC1
SCHEMBL16667141 0.75 KCNK2 (0.43) SMN1; SMN2KDM4EALDH1A1TDP1PTPRZ1
SCHEMBL16707555 0.75 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1TDP1PTPRZ1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP disclosed
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed