SCHEMBL9636571

SCHEMBL9636571

CC(C)C1C[S@@+]([O-])C(c2ccc(Br)cc2)[S@+]([O-])C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.32
KCNH2 Q12809 2/20 0.32
MAOB P27338 2/20 0.32
RCOR1 Q9UKL0 2/20 0.32
KDM1B Q8NB78 1/20 0.32
GRIA4 P48058 2/20 0.31
GRIA2 P42262 1/20 0.31
TSHR P16473 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL9636563 1.00 KDM1A (0.32) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL9636574 1.00 KDM1A (0.32) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL9636600 0.64 GABRP (0.40) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL9636515 0.64 GABRP (0.40) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL17000154 0.62
SCHEMBL24780726 0.57 KDM1A (0.38) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL17379251 0.57
SCHEMBL17379574 0.57
SCHEMBL15748358 0.56 EPHX2 (0.41)
SCHEMBL25356229 0.56 SLC6A2 (0.51) KDM1AKCNH2MAOBRCOR1KDM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372816-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-07-29 EP claimed
WO-1990006304-A1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-14 WO claimed
EP-0372816-A1 Novel heterocyclic pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-13 EP claimed
EP-0372816-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-07-29 EP disclosed
WO-1990006304-A1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-14 WO disclosed
EP-0372816-A1 Novel heterocyclic pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-13 EP disclosed