SCHEMBL18801484

SCHEMBL18801484

COc1c(-c2nccs2)ccc(C[S+]([O-])c2ccccc2)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.38
TUBB P07437 4/20 0.38
TUBA3C P0DPH7 4/20 0.38
TUBA1B P68363 4/20 0.38
TUBA4A P68366 4/20 0.38
TUBB4B P68371 4/20 0.38
TUBB3 Q13509 4/20 0.38
TUBB2A Q13885 4/20 0.38
TUBB8 Q3ZCM7 4/20 0.38
TUBA3E Q6PEY2 4/20 0.38
TUBA1A Q71U36 4/20 0.38
TUBA1C Q9BQE3 4/20 0.38
TUBB6 Q9BUF5 4/20 0.38
TUBB2B Q9BVA1 4/20 0.38
TUBB1 Q9H4B7 4/20 0.38
ECE1 P42892 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
S1PR1 P21453 1/20 0.35
SLC6A9 P48067 1/20 0.35
NPC1 O15118 2/20 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
SCHEMBL18801161 0.83 MAPT (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18801252 0.81 MEN1 (0.30) MEN1KMT2A
SCHEMBL18801070 0.79 TUBB4A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18801131 0.79 HTT (0.31)
SCHEMBL1646328 0.78 ALDH1A1 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1647720 0.78 METAP2 (0.44) MEN1KMT2AHPGD
SCHEMBL18801432 0.76 DGAT2 (0.33) NPC1RAB9AGAA
SCHEMBL18801291 0.76 IMPDH2 (0.42)
SCHEMBL18801147 0.75 METAP2 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18801072 0.74 PPARA (0.37)

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