SCHEMBL31130236

SCHEMBL31130236

COC(=O)c1cc(-c2cc(Br)cs2)n(Cc2ccccc2Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 14/20 0.52
▸ SLC16A1 P53985 13/20 0.52
▸ MCTS1 Q9ULC4 9/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ PTGER1 P34995 2/20 0.43
▸ P2RY14 Q15391 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL18307410 0.82 SLC16A3 (0.60) SLC16A3SLC16A1MCTS1MEN1NPC1
SCHEMBL31130272 0.81 SLC16A3 (0.52) SLC16A3SLC16A1MCTS1
SCHEMBL29819644 0.80 SLC16A3 (0.70) SLC16A3SLC16A1MCTS1
SCHEMBL20239471 0.80 SLC16A3 (0.70) SLC16A3SLC16A1MCTS1
SCHEMBL8364695 0.79 LMNA (0.44) SLC16A3SLC16A1MCTS1NPC1RAB9A
SCHEMBL20239517 0.78 SLC16A3 (0.63) SLC16A3SLC16A1MCTS1MEN1NPC1
SCHEMBL29819639 0.78 SLC16A3 (0.63) SLC16A3SLC16A1MCTS1MEN1NPC1
SCHEMBL31130145 0.78 SLC16A3 (0.63) SLC16A3SLC16A1MCTS1MEN1NPC1
SCHEMBL20239564 0.78 SLC16A3 (0.80) SLC16A3SLC16A1MCTS1
SCHEMBL20239469 0.77 SLC16A3 (0.63) SLC16A3SLC16A1MCTS1MEN1NPC1

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-4442318-A2 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC (US) 2024-10-09 — — EP disclosed
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