SCHEMBL7004455

SCHEMBL7004455

Cn1ncc(N(CCCCl)Cc2ccc(Cl)cc2)c(Cl)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
BPTF Q12830 6/20 0.45
BRD9 Q9H8M2 5/20 0.42
KAT2B Q92831 5/20 0.42
BRD4 O60885 5/20 0.39
GBA1 P04062 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
KAT2A Q92830 1/20 0.37
CECR2 Q9BXF3 1/20 0.37
BRD7 Q9NPI1 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPBWR1 P48145 1/20 0.36
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL6999530 0.91 KAT2B (0.48) ALDH1A1BPTFBRD9KAT2BBRD4
SCHEMBL7006298 0.89 ALDH1A1 (0.46) ALDH1A1BPTFBRD9KAT2BBRD4
SCHEMBL7001264 0.80 KAT2B (0.47) ALDH1A1BPTFBRD9KAT2BBRD4
SCHEMBL7003236 0.79 NPBWR1 (0.41) BPTFBRD9KAT2BRAB9ANPC1
SCHEMBL7002772 0.75 RAB9A (0.51) ALDH1A1RAB9ANPC1MAPTGAA
SCHEMBL7000441 0.74 KAT2B (0.43) ALDH1A1BPTFBRD9KAT2BBRD4
SCHEMBL7014865 0.71 KMT2A (0.39) ALDH1A1GBA1RAB9ANPC1MAPT
SCHEMBL7001162 0.70 NPC1 (0.44) ALDH1A1GBA1RAB9ANPC1MAPT
SCHEMBL7001161 0.70 NPC1 (0.44) ALDH1A1GBA1RAB9ANPC1MAPT
SCHEMBL7001314 0.68 RAB9A (0.52) ALDH1A1RAB9ANPC1MAPTGAA

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