SCHEMBL31130190

SCHEMBL31130190

COC(=O)c1cc(-c2ccccn2)n(-c2ccccc2Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 5/20 0.59
▸ SLC16A1 P53985 4/20 0.59
▸ RXRA P19793 1/20 0.53
▸ NR1H2 P55055 1/20 0.53
▸ NR1H3 Q13133 1/20 0.53
▸ RIPK1 Q13546 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NTRK1 P04629 3/20 0.40
▸ NR3C2 P08235 1/20 0.40
▸ FABP3 P05413 1/20 0.40
▸ FABP4 P15090 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ MARS1 P56192 1/20 0.39
▸ GRM5 P41594 1/20 0.39

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
SCHEMBL3472757 0.84 RXRA (0.50) SLC16A3SLC16A1RXRANR1H2NR1H3
SCHEMBL29419072 0.83 RXRA (0.62) SLC16A3SLC16A1RXRANR1H2NR1H3
SCHEMBL341019 0.83 RXRA (0.62) SLC16A3SLC16A1RXRANR1H2NR1H3
SCHEMBL2917351 0.81 SLC16A3 (0.40) SLC16A3SLC16A1RXRANR1H2NR1H3
SCHEMBL2914719 0.81 SLC16A3 (0.40) SLC16A3SLC16A1RXRANR1H2NR1H3
SCHEMBL15229859 0.79 RXRA (0.50) SLC16A3SLC16A1RXRANR1H2NR1H3
SCHEMBL9418691 0.79 RXRA (0.53) RXRANR1H2NR1H3ALDH1A1MEN1
SCHEMBL9418696 0.79 MARS1 (0.59) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL31130354 0.79 SLC16A3 (0.59) SLC16A3SLC16A1RXRANR1H2NR1H3
SCHEMBL10388627 0.79 RXRA (0.52) RXRANR1H2NR1H3RIPK1ALDH1A1

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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