SCHEMBL10339659

SCHEMBL10339659

C1=Cc2ccc3ncccc3c2SNC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
NCOA1 Q15788 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP1B1 Q16678 1/20 0.34
ERN1 O75460 1/20 0.32
ADRB2 P07550 1/20 0.31
NCF1 P14598 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
NR4A2 P43354 1/20 0.30

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
SCHEMBL8122719 0.77 MAPT (0.47) MAPTKDM4ECYP3A4SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL10396866 0.76 MAPT (0.46) MAPTKDM4ECYP3A4SMN1; SMN2LMNA
SCHEMBL8192297 0.76 MAPT (0.46) MAPTKDM4ECYP3A4SMN1; SMN2LMNA
SCHEMBL70023 0.75 MAPT (0.48) MAPTKDM4ECYP3A4SMN1; SMN2LMNA
Bromide SCHEMBL28730172 0.74 MAPT (0.47) MAPTKDM4ECYP3A4SMN1; SMN2LMNA
SCHEMBL5937225 0.72 MAPT (0.44) MAPTKDM4ECYP3A4SMN1; SMN2LMNA
SCHEMBL5139621 0.69 MAPT (0.41) MAPTKDM4ECYP3A4SMN1; SMN2LMNA
SCHEMBL29893540 0.68 MAPT (0.52) MAPTKDM4ECYP3A4SMN1; SMN2LMNA
SCHEMBL29098745 0.68 MAPT (0.47) MAPTKDM4ECYP3A4SMN1; SMN2LMNA
SCHEMBL3834762 0.67 MAPT (0.46) MAPTKDM4ECYP3A4SMN1; SMN2LMNA

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
JP-2237925-A None JP disclosed
JP-H02237925-A USE OF 11-POSITION SUBSTITUTED 5,11-DIHYDRO-6HPYRIDO(23-B) (14)-BENZODIAZEPIN6-ONES IN TREATMENT OF BRADYCARDIA AND BRADYARRHYTHMIA IN HUMAN AND VETERINARY TREATMENT DR KARL THOMAE GMBH 1990-09-20 JP disclosed