SCHEMBL9496408

SCHEMBL9496408

CSC(SC)=C(C(=O)c1ccc(Cl)cc1Cl)n1ccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
AHR P35869 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CYP19A1 P11511 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADRB3 P13945 2/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL9496751 0.86 MAPT (0.40) MAPTAHRHTTADRB3ADRB2
SCHEMBL9497412 0.82 CES2 (0.40) MAPTMEN1KMT2ACYP3A4ADORA3
SCHEMBL9498269 0.79 MEN1 (0.40) MAPTAHRTSHRNPC1RAB9A
SCHEMBL9497155 0.78 CES2 (0.45) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL8035724 0.75 MAPT (0.71) MAPTJAK2JAK1TYK2AHR
SCHEMBL11271609 0.75 MAPT (0.68) MAPTJAK2JAK1TYK2AHR
SCHEMBL11298296 0.75 MAPT (0.71) MAPTJAK2JAK1TYK2AHR
SCHEMBL11271604 0.75 MAPT (0.68) MAPTJAK2JAK1TYK2AHR
SCHEMBL21829067 0.74 MAPT (0.71) MAPTJAK2JAK1TYK2AHR
SCHEMBL9498258 0.74 CES1 (0.44) MAPTSMN1; SMN2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5212197-A Agriculture DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1993-05-18 US disclosed
EP-0508527-A1 New fungicidally active pyrazole compounds UNIROYAL CHEMICAL COMPANY, Inc. (US) 1992-10-14 EP disclosed