SCHEMBL5791965

SCHEMBL5791965

Cc1cnc(CNC(=O)c2ccccc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 6/20 0.53
▸ P2RX2 Q9UBL9 6/20 0.53
▸ HPGD P15428 3/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPT P10636 1/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CXCR4 P61073 1/20 0.49
▸ WDR5 P61964 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ GAA P10253 1/20 0.47

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
SCHEMBL13947456 0.88 MAPT (0.54) P2RX3P2RX2MAPTWDR5
SCHEMBL1568296 0.87 WDR5 (0.50) P2RX3P2RX2ALDH1A1MAPTLMNA
SCHEMBL13947315 0.86 POLB (0.56) P2RX3P2RX2NPC1POLBRAB9A
SCHEMBL18617526 0.84 MAPT (0.51) P2RX3P2RX2HPGDALDH1A1MAPT
SCHEMBL10263733 0.83 WDR5 (0.48) P2RX3P2RX2WDR5
SCHEMBL11962909 0.82 MAPT (0.44) P2RX3P2RX2HPGDALDH1A1MAPT
SCHEMBL10203249 0.82 WDR5 (0.47) P2RX3P2RX2LMNAPOLBWDR5
SCHEMBL13450235 0.80 EPHX2 (0.52) P2RX3P2RX2MAPTWDR5KDM4E
SCHEMBL14562163 0.80 GABRA5 (0.51) P2RX3P2RX2ALDH1A1NPC1LMNA
SCHEMBL21875108 0.80 PKM (0.52) P2RX3P2RX2WDR5

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-2592070-A2 Tetrazole-substituted arylamides F. Hoffmann-La Roche AG (CH) 2013-05-15 — — EP disclosed
WO-2006011719-A1 N-SUBSTITUTED-SULFAMOYLBENZOIC ACID DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM CO., LTD. (KR) 2006-02-02 — — WO disclosed
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