SCHEMBL18801432

SCHEMBL18801432

COc1c(-c2ccon2)ccc(C[S+]([O-])c2ccccc2)c1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.33
HTT P42858 1/20 0.31
P2RX3 P56373 1/20 0.31
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL18801321 0.89 TSHR (0.35) GAATSHRMAPK1NPC1RAB9A
SCHEMBL18801131 0.82 HTT (0.31) HTT
SCHEMBL18801147 0.80 METAP2 (0.48) HTT
SCHEMBL18801291 0.78 IMPDH2 (0.42)
SCHEMBL1647720 0.78 METAP2 (0.44) HTT
SCHEMBL18801252 0.78 MEN1 (0.30)
SCHEMBL18801070 0.78 TUBB4A (0.39) DGAT2GAATSHRRAB9A
SCHEMBL1649154 0.78 NPC1 (0.38) DGAT2NPC1RAB9A
SCHEMBL18801161 0.78 MAPT (0.37) GAANPC1RAB9A
SCHEMBL18801484 0.76 TUBB4A (0.38) GAANPC1RAB9A

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