SCHEMBL3467177

SCHEMBL3467177

O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(SCc2ccccc2F)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
MAPT P10636 4/20 0.60
HTT P42858 4/20 0.60
LMNA P02545 3/20 0.60
NTRK1 P04629 2/20 0.59
NTRK2 Q16620 2/20 0.59
GAA P10253 2/20 0.58
NPC1 O15118 1/20 0.53
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
TP53 P04637 1/20 0.52
BLM P54132 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL3467894 0.84 MEN1 (0.62) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3467256 0.82 MEN1 (0.74) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3467864 0.79 MEN1 (0.59) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3467385 0.79 RAB9A (0.69) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3467362 0.77 CA1 (0.54) RAB9ASMN1; SMN2HTTNPC1CA1
SCHEMBL14970871 0.76 RAB9A (0.74) RAB9ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8565680 0.76 MAPT (0.60) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3467231 0.75 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3467221 0.74 MAPT (0.77) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7478008 0.73 MAPT (0.63) RAB9ASMN1; SMN2MEN1KMT2AMAPT

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-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO claimed