SCHEMBL6922186

SCHEMBL6922186

NC(=O)c1ccnc(-c2ccc(Oc3ccccc3)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.53
PARP10 Q53GL7 1/20 0.53
TNK2 Q07912 1/20 0.46
CHEK2 O96017 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
FPR2 P25090 6/20 0.46
BTK Q06187 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL3131856 0.87 SCN9A (0.62) SCN9AFPR2
SCHEMBL2543831 0.86 HDAC6 (0.50) SCN9AKMT2AMEN1MAPT
SCHEMBL29383595 0.86 HDAC6 (0.50) SCN9AKMT2AMEN1MAPT
SCHEMBL29961676 0.82 NPC1 (0.56) SCN9APARP10KMT2AMEN1MAPT
SCHEMBL29520004 0.79 SCN9A (0.53) SCN9ACHEK2FPR2
SCHEMBL30681806 0.77 LTA4H (0.49) SCN9ATNK2KMT2AMEN1BTK
SCHEMBL13729587 0.77 KMT2A (0.53) SCN9ACHEK2KMT2AMEN1MAPT
SCHEMBL3129156 0.77 SCN9A (0.57) SCN9ACHEK2KMT2AMEN1FPR2
SCHEMBL13726855 0.77 L3MBTL1 (0.51) SCN9ACHEK2
SCHEMBL6741053 0.77 KMT2A (0.61) KMT2AMEN1MAPT

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-1265866-B1 ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-07-21 EP disclosed
WO-2004111011-A2 SYNTHESIS OF 2-ARYL PYRIMIDINE 4-CARBOXYLIC ACID AMIDES EURO-CELTIQUE S.A. (LU) 2004-12-23 WO disclosed