SCHEMBL8718613

SCHEMBL8718613

O=C1N=NN=C1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
LMNA P02545 4/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 3/20 0.34
CFTR P13569 1/20 0.34
GOPC Q9HD26 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PLA2G10 O15496 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BTK Q06187 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34

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
SCHEMBL10412917 0.89 ALDH1A1 (0.35) MAPTLMNAHTTALDH1A1MEN1
SCHEMBL5578465 0.76 ALDH1A1 (0.36) HTTALDH1A1MEN1KMT2AMAPK1
SCHEMBL11825307 0.76 NOTUM (0.43) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL7958821 0.74 CFTR (0.31) MAPTLMNAHTTCFTRGOPC
SCHEMBL27899163 0.73 NOTUM (0.39) MAPTLMNAHTTALDH1A1MEN1
SCHEMBL15511089 0.70 ALDH1A1 (0.40) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL4633787 0.67 MAPT (0.44) MAPTLMNAHTTALDH1A1MEN1
SCHEMBL8656886 0.67 MAPT (0.40) MAPTLMNAHTTALDH1A1MEN1
SCHEMBL576916 0.66 ALDH1A1 (0.47) MAPTLMNAHTTALDH1A1MEN1
SCHEMBL6656042 0.65 MAPT (0.42) MAPTLMNAHTTALDH1A1MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2956444-A1 POSACONAZOLE IMMUNOASSAYS ARK Diagnostics, Inc. (US) 2015-12-23 EP disclosed
WO-2014126861-A1 POSACONAZOLE IMMUNOASSAYS ARK DIAGNOSTICS, INC. (US) 2014-08-21 WO disclosed
US-8669371-B2 Regioselective chlorination of the phenyl ring of 4,5-dihydro-1-phenyl-1H-1,2,4-triazol-5-ones TAGROS CHEMICALS INDIA PVT LTD (IN) 2014-03-11 US disclosed
US-20130072689-A1 Regioselective chlorination of the phenyl ring of 4,5-dihydro-1-phenyl-1H-1,2,4-triazol-5-ones TAGROS CHEMICALS INDIA, LTD. (IN) 2013-03-21 US disclosed
US-5728834-A Process for preparation of 4-aryl-1,2,4-triazol-3-ones WYCKOFF CHEMICAL COMPANY, INC. (US) 1998-03-17 US disclosed