SCHEMBL20385126

SCHEMBL20385126

N/N=C(\Nc1ccccc1F)c1ccccc1-c1ccccc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.39
▸ FABP4 P15090 1/20 0.38
▸ FABP5 Q01469 1/20 0.38
▸ SCN10A Q9Y5Y9 2/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ KCNN4 O15554 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ SCN9A Q15858 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ RORC P51449 4/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL20385125 0.85 HPGD (0.50) HTTHPGDKMT2AALDH1A1NPC1
SCHEMBL20385152 0.83 HTT (0.47) HTTPOLBKMT2AALDH1A1NPC1
SCHEMBL20385146 0.82 KMT2A (0.40) HTTKCNN4HPGDPOLBRXFP1
SCHEMBL20385151 0.81 HTT (0.41) HTTPOLBKMT2AALDH1A1NPC1
SCHEMBL20385162 0.80 KCNN4 (0.40) HTTDHODHKCNN4HPGDPOLB
SCHEMBL20385115 0.79 HTT (0.43) HTTPOLBKMT2AALDH1A1NPC1
SCHEMBL20385135 0.79 NPC1 (0.44) HTTPOLBKMT2ANPC1RAB9A
SCHEMBL20385145 0.79 KCNN4 (0.41) HTTKCNN4HPGDSCN9APOLB
SCHEMBL20385136 0.78 MRGPRX1 (0.43) HTTKCNN4KMT2AALDH1A1RAB9A
SCHEMBL20385157 0.78 NPC1 (0.40) HTTDHODHPOLBRXFP1KMT2A

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-2867215-B1 TETRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS SANIONA AS (DK) 2018-07-18 — — EP disclosed
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