SCHEMBL14995553

SCHEMBL14995553

O=C(O)Oc1cc(-c2cc(Br)cc(OC(F)(F)F)c2)n(-c2cccc(Cl)n2)n1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 11/20 0.33
▸ MARS1 P56192 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ SLC16A3 O15427 1/20 0.32
▸ SLC16A1 P53985 1/20 0.32
▸ MCTS1 Q9ULC4 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.31

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
SCHEMBL15004251 0.87 MARS1 (0.46) MARS1
SCHEMBL14995419 0.85 SLC16A3 (0.41) SLC5A1MARS1MGLLSLC16A3DYRK1A
SCHEMBL14995522 0.81 MARS1 (0.39) SLC5A1MARS1DYRK1A
SCHEMBL14995448 0.81 SLC5A1 (0.38) SLC5A1MARS1
SCHEMBL14995596 0.80 MARS1 (0.38) SLC5A1MARS1SLC16A3SLC16A1DYRK1A
SCHEMBL14995408 0.79 SLC5A1 (0.46) SLC5A1MARS1
SCHEMBL14995489 0.79 SLC16A3 (0.41) SLC5A1MARS1SLC16A3SLC16A1DYRK1A
SCHEMBL14995543 0.77 RXRA (0.37) MARS1
SCHEMBL14995587 0.77 SLC5A1 (0.39) SLC5A1MARS1DYRK1A
SCHEMBL14995602 0.77 SLC5A1 (0.35) SLC5A1MGLL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785705-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF AiCuris GmbH & Co. KG (DE) 2014-10-08 — — EP disclosed
WO-2013079586-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF AICURIS GMBH & CO. KG (DE) 2013-06-06 — — WO disclosed
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