SCHEMBL7003236

SCHEMBL7003236

COc1ccc(CN(CCCO)c2cnn(C)c(=O)c2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.41
BPTF Q12830 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MCHR1 Q99705 2/20 0.39
KAT2B Q92831 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL7006298 0.89 ALDH1A1 (0.46) BPTFMEN1KMT2AMAPTNPC1
SCHEMBL7001264 0.87 KAT2B (0.47) BPTFMEN1KMT2AMAPTNPC1
SCHEMBL6999530 0.77 KAT2B (0.48) BPTFMEN1KMT2AMAPTNPC1
SCHEMBL7001314 0.73 RAB9A (0.52) NPBWR1MEN1KMT2AMAPTMAPK1
SCHEMBL9674153 0.73 NPBWR1 (0.58) NPBWR1MEN1KMT2AMAPTTSHR
SCHEMBL6999341 0.71 MAPT (0.42) NPBWR1BPTFMEN1KMT2AMAPT
SCHEMBL7014865 0.71 KMT2A (0.39) MEN1KMT2AMAPTTSHRMAPK1
SCHEMBL11728096 0.68 CNR1 (0.47) MEN1KMT2AMAPTTSHRMAPK1
SCHEMBL7003258 0.67 NPC1 (0.45) MEN1KMT2AMAPTTSHRMAPK1
SCHEMBL7003256 0.67 NPC1 (0.45) MEN1KMT2AMAPTTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602865-B1 Pyridazino(4,5-b)(1,5)oxazepinone, -thiazepinone and -diazepinone compounds IVAX DRUG RESEARCH INSTITUTE, LTD. (HU) 2003-08-05 US disclosed
EP-1129097-B1 NOVEL TYPE CONDENSED PYRIDAZINONE COMPOUNDS GYOGYSZERKUTATO INTEZET (HU) 2003-01-29 EP disclosed
EP-1129097-A1 NOVEL TYPE CONDENSED PYRIDAZINONE COMPOUNDS GYOGYSZERKUTATO INTEZET KFT. (HU) 2001-09-05 EP disclosed
WO-2000027851-A1 NOVEL TYPE CONDENSED PYRIDAZINONE COMPOUNDS Gyógyszerkutató Intézet Kft. (HU) 2000-05-18 WO disclosed