SCHEMBL8950492

SCHEMBL8950492

CC(C)(C)[C@H]1CS[C@](C)(c2ccc(Br)c(C(F)(F)F)c2)SC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNN4 O15554 1/20 0.31
EPHX1 P07099 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NOTUM Q6P988 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
SCHEMBL8950782 0.77 MAOA (0.41) LMNA
SCHEMBL8950456 0.76 ALDH1A1 (0.32) HTT
SCHEMBL8950585 0.75 KDM1A (0.47) KCNN4
SCHEMBL9679111 0.74 CCR2 (0.36) KCNN4
SCHEMBL8950615 0.74 CCR2 (0.36) KCNN4
SCHEMBL8950552 0.73 SLC6A4 (0.37)
SCHEMBL9677465 0.70 ALDH1A1 (0.30) HTT
SCHEMBL8950353 0.67 GABRP (0.55)
SCHEMBL8950638 0.67 GABRP (0.38)
SCHEMBL8950567 0.66

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
US-5502073-A INSECTICIDES OR ANTHELMINTICS THE WELLCOME FOUNDATION (GB) 1996-03-26 US disclosed