SCHEMBL14247233

SCHEMBL14247233

Nc1nc2ccc(Br)cc2n1CCN1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KMT2A Q03164 1/20 0.43
▸ TLR8 Q9NR97 1/20 0.43
▸ HTR7 P34969 10/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ CXCR4 P61073 1/20 0.41
▸ HTR6 P50406 1/20 0.38

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
SCHEMBL14247506 0.91 TLR8 (0.46) NPSR1POLBMAPTMAPK1L3MBTL1
SCHEMBL14247511 0.89 ALOX15 (0.53) POLBMAPTMAPK1L3MBTL1KMT2A
SCHEMBL14247585 0.89 HTR7 (0.49) NPSR1POLBMAPTMAPK1KMT2A
SCHEMBL14247213 0.88 KMT2A (0.41) NPSR1POLBMAPTMAPK1L3MBTL1
SCHEMBL14247277 0.86 KMT2A (0.39) NPSR1POLBMAPTMAPK1L3MBTL1
SCHEMBL18732121 0.83 LMNA (0.51) NPSR1POLBMAPTMAPK1L3MBTL1
SCHEMBL14247207 0.83 ALOX15 (0.47) MAPK1KMT2ATLR8ALOX15CXCR4
SCHEMBL14247475 0.81 TLR8 (0.44) POLBMAPK1KMT2ATLR8ALOX15
SCHEMBL14247793 0.80 TLR8 (0.43) MAPK1KMT2ATLR8ALOX15CXCR4
SCHEMBL3400537 0.80 CXCR4 (0.66) NPSR1POLBMAPTKMT2ATLR8

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
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 — — WO disclosed
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 — — WO disclosed
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