SCHEMBL20385122

SCHEMBL20385122

N=N/N=C(\Nc1ccccc1F)c1ccccc1I

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL20385083 0.82 CYP1A2 (0.47) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL20385134 0.82 POLB (0.43) HTTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL20385092 0.79 HTT (0.41) HTTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL20385091 0.75 SIGMAR1 (0.38) HTTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL15541786 0.74 HTT (0.64) HTTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL20385090 0.70 SIGMAR1 (0.42) HTTL3MBTL1SIGMAR1
SCHEMBL20385093 0.66 HDAC1 (0.41) RAB9ANPC1KMT2AMEN1SIGMAR1
SCHEMBL15463572 0.65 HTT (0.70) HTTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL20385169 0.65 SIGMAR1 (0.44) RAB9ANPC1KMT2AMEN1L3MBTL1
SCHEMBL20385168 0.64 SIGMAR1 (0.40) RAB9ANPC1KMT2AMEN1L3MBTL1

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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