SCHEMBL12332467

SCHEMBL12332467

Cc1cc(Cl)cc(C(N)=S)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
C1S P09871 1/20 0.41
PRSS3 P35030 1/20 0.41
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
ASIC3 Q9UHC3 1/20 0.35
TPMT P51580 2/20 0.33
KDR P35968 1/20 0.33
AKT1 P31749 1/20 0.33

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
SCHEMBL3587300 0.84 MAPT (0.46) CTSLCTSBHTTSMN1; SMN2GAA
SCHEMBL3371815 0.84 PRSS1 (0.56) PRSS1PRSS2C1SPRSS3HTT
SCHEMBL22383502 0.78 PARP1 (0.50) PRSS1PRSS2C1SPRSS3HTT
SCHEMBL11526256 0.78 PARP1 (0.50) PRSS1PRSS2C1SPRSS3HTT
SCHEMBL12876024 0.74 SMN1; SMN2 (0.42) CTSLCTSBPRSS1PRSS2C1S
SCHEMBL18004027 0.74 TAS1R3 (0.36) CTSLCTSBHTTSMN1; SMN2GAA
SCHEMBL26326385 0.74 PRSS1 (0.41) PRSS1PRSS2C1SPRSS3HTT
SCHEMBL12127523 0.74 ALDH1A1 (0.44) CTSLCTSBHTTSMN1; SMN2GAA
SCHEMBL23965606 0.71 PRSS1 (0.43) CTSLCTSBPRSS1PRSS2C1S
SCHEMBL2172133 0.71 TPMT (0.70) SMN1; SMN2ALDH1A1TPMTKDR

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-2011109799-A1 NUCLEAR TRANSPORT MODULATIORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-09-09 WO disclosed