SCHEMBL15922137

SCHEMBL15922137

Nc1ccc2c(N)onc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAOA P21397 1/20 0.41
DRD1 P21728 1/20 0.41
ACHE P22303 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
KDR P35968 1/20 0.41
HTT P42858 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL21596940 0.79 ENPP2 (0.45) KMT2AMEN1LMNAHTTGFER
SCHEMBL2144895 0.79 BACE1 (0.42) KMT2AMEN1ACHEHTTRAB9A
SCHEMBL8947000 0.75 ACHE (0.43) KMT2AMEN1LMNAHTR1AACHE
SCHEMBL21596920 0.72 PIK3CD (0.43) KMT2AMEN1LMNAHTTDYRK1A
SCHEMBL21596938 0.71 LMNA (0.37) LMNAMAOADYRK1AALDH1A1
Hydrochloric Acid SCHEMBL6648426 0.71 RAB9A (0.46) KMT2ALMNACHRM2ADRA2AADORA3
SCHEMBL21596921 0.69 PIK3CD (0.47) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL21596918 0.69 BRD4 (0.39) KDR
SCHEMBL11198521 0.69 KMT2A (0.50) KMT2AMEN1F2LMNACHRM2
SCHEMBL15834740 0.68 LMNA (0.38) LMNAACHE

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-2934538-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-10-28 EP disclosed
WO-2014120346-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 WO disclosed