SCHEMBL11275593

SCHEMBL11275593

O=c1n(-c2ccc(Cl)c(Cl)c2)cnn1SC(Cl)(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
CYP11B2 P19099 2/20 0.39
XDH P47989 1/20 0.37
NOTUM Q6P988 3/20 0.36
RAD51 Q06609 3/20 0.34
ADRB1 P08588 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 1/20 0.32
BCL2A1 Q16548 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
SCHEMBL11279186 0.89 SMN1; SMN2 (0.42) SMN1; SMN2CYP11B2XDHNOTUMRAD51
SCHEMBL11266662 0.84 PTGS2 (0.42) SMN1; SMN2RAD51MAPTKMT2A
SCHEMBL11267429 0.84 MAPT (0.41) SMN1; SMN2CYP11B2XDHGAALMNA
SCHEMBL11263206 0.83 HCAR1 (0.42) CYP11B2XDHNOTUMADRB1GAA
SCHEMBL11267538 0.82 CYP11B2 (0.32) CYP11B2NOTUM
SCHEMBL11269982 0.82 POLB (0.39) CYP11B2LMNAMAPT
SCHEMBL11270269 0.79 SMN1; SMN2 (0.39) SMN1; SMN2GAALMNAMAPTKMT2A
SCHEMBL11270609 0.79 HCAR1 (0.36) CYP11B2MAPT
SCHEMBL11274262 0.79 HCAR1 (0.40)
SCHEMBL11264984 0.79 KMT2A (0.39) SMN1; SMN2CYP11B2XDHGAALMNA

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
US-4350701-A 1-(Trihalomethyl-sulfenyl)-4-aryl-1,2,4-triazolin-5-ones, and process for controlling fungi BASF AKTIENGESELLSCHAFT (DE) 1982-09-21 US disclosed