SCHEMBL9676502

SCHEMBL9676502

CC(C)(C)C1(c2ccc(Cl)cc2)SCCCS1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
SLC6A4 P31645 11/20 0.35
SLC6A3 Q01959 11/20 0.35
SLC6A2 P23975 4/20 0.34
HTR2A P28223 2/20 0.33
HTR2B P41595 2/20 0.33
HRH1 P35367 1/20 0.33
CHRNA4 P43681 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
KDM1A O60341 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HDAC4 P56524 1/20 0.31
DRD2 P14416 1/20 0.31
CHRM2 P08172 1/20 0.30

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
SCHEMBL9678382 0.83 MAOB (0.33) KMT2AMAOAMAOBTSHR
SCHEMBL9678441 0.81 TAAR1 (0.30)
SCHEMBL9677759 0.81
SCHEMBL9677950 0.81 SLC6A2 (0.31) SLC6A4SLC6A3SLC6A2
SCHEMBL9677633 0.81 SLC6A4 (0.40) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL9679313 0.79 SLC6A3 (0.40) KMT2ASLC6A4SLC6A3SLC6A2MAOA
SCHEMBL9677564 0.79 SLC6A4 (0.37) KMT2ASLC6A4SLC6A3MEN1TSHR
SCHEMBL9678600 0.78 KIF11 (0.31)
SCHEMBL9676459 0.77 KIF11 (0.37) MAOAMAOB
SCHEMBL9677275 0.77 GABRP (0.36)

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
EP-0294229-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-12-02 EP claimed
EP-0294229-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-12-02 EP disclosed