SCHEMBL16593178

SCHEMBL16593178

BNC(=O)NC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
PPIA P62937 13/20 0.55
MAPT P10636 1/20 0.53
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL29273709 0.88 MAPT (0.65) KMT2APPIAMAPTMEN1LMNA
SCHEMBL22873283 0.81 KMT2A (0.61) KMT2APPIAMAPTMEN1LMNA
SCHEMBL13969504 0.78 KMT2A (0.53) KMT2APPIAMAPTMEN1LMNA
SCHEMBL16592358 0.78 CA12 (0.63) KMT2APPIAMAPTMEN1TSHR
SCHEMBL1007576 0.78 MAPT (0.62) KMT2APPIAMAPTMEN1LMNA
SCHEMBL1567605 0.78 KMT2A (0.61) KMT2APPIAMAPTMEN1LMNA
SCHEMBL13480594 0.77 PPIA (0.61) KMT2APPIAMAPTMEN1LMNA
SCHEMBL18007197 0.77 KMT2A (0.56) KMT2APPIAMAPTMEN1LMNA
SCHEMBL144326 0.76 KMT2A (0.65) KMT2APPIAMAPTMEN1LMNA
SCHEMBL5525117 0.76 KMT2A (0.59) KMT2APPIAMAPTMEN1LMNA

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
WO-2015042088-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP (US) 2015-03-26 WO disclosed