SCHEMBL18801337

SCHEMBL18801337

COC(=O)c1c(C[S+]([O-])c2ccccn2)ccc(Br)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
GRM4 Q14833 1/20 0.35
DRD3 P35462 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34

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
SCHEMBL18801127 0.83 MEN1 (0.36) SMN1; SMN2GAATSHRDRD3KDM4E
SCHEMBL18801177 0.82 MEN1 (0.36) SMN1; SMN2GAATSHRKDM4EALDH1A1
SCHEMBL18801182 0.80 MEN1 (0.39) SMN1; SMN2GAATSHRKDM4EALDH1A1
SCHEMBL18801468 0.80 LMNA (0.37) SMN1; SMN2POLBGAATSHRDRD3
SCHEMBL1648427 0.76 ALDH1A1 (0.49) SMN1; SMN2POLBTSHRKDM4EALDH1A1
SCHEMBL18801342 0.75 ALDH1A1 (0.36) SMN1; SMN2POLBALDH1A1TUBB4ATUBB
SCHEMBL18801069 0.75 KDM4E (0.32) GAAKDM4EALDH1A1HPGDLMNA
SCHEMBL1648899 0.75 METAP2 (0.38) SMN1; SMN2POLBGAATSHRGRM4
SCHEMBL18801352 0.74 NPSR1 (0.35) SMN1; SMN2GAAKDM4EHPGDL3MBTL1
SCHEMBL30004264 0.71 MEN1 (0.40) SMN1; SMN2POLBTSHRDRD3KDM4E

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
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed