SCHEMBL8538987

SCHEMBL8538987

CSc1nnc(-c2ccc(Cl)nc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIK3CD O00329 1/20 0.40
NOTUM Q6P988 2/20 0.38
CYP2A6 P11509 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
DGAT1 O75907 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 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
SCHEMBL174385 0.75 KDM4E (0.53) PTGS1PTGS2PIM1PIM3PIK3CD
SCHEMBL8042639 0.75 PIK3CD (0.43) PIK3CDNOTUMCYP2A6RAB9ANPC1
SCHEMBL10562949 0.74 ALDH1A1 (0.56) PTGS1PTGS2PIM1PIM3RAB9A
SCHEMBL9352473 0.73 PTGS2 (0.57) PTGS1PTGS2RAB9ANPC1MEN1
SCHEMBL17589831 0.69 NPC1 (0.44) PIK3CDNOTUMCYP2A6RAB9ANPC1
SCHEMBL9479043 0.69 SNCA (0.68) PTGS1PTGS2PIM1PIM3MAPT
SCHEMBL8157379 0.68 PIM1 (0.53) PTGS1PTGS2PIM1PIM3RAB9A
SCHEMBL1662273 0.67 PIK3CD (0.73) PIK3CDNOTUMCYP2A6RAB9ANPC1
SCHEMBL1594532 0.67 PTGS1 (0.43) PTGS1PTGS2PIM1PIM3
SCHEMBL1594907 0.67 CDK2 (0.44) PTGS1PTGS2PIM1PIM3MEN1

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
US-5780392-A Heterocyclyl-1,3,4-thiadiazolyloxyacetamides and their use as herbicides BAYER AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0755395-A1 HETEROCYCLYL-1,3,4-THIADIAZOLYLOXYACETAMIDES BAYER AG (DE) 1997-01-29 EP disclosed
WO-1995027711-A1 HETEROCYCLYL-1,3,4-THIADIAZOLYLOXYACETAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-10-19 WO disclosed