SCHEMBL6999530

SCHEMBL6999530

Cn1ncc(N(CCCCl)Cc2ccccc2)c(Cl)c1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 8/20 0.48
BRD9 Q9H8M2 5/20 0.48
BRD4 O60885 5/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
BPTF Q12830 6/20 0.42
PTGS1 P23219 1/20 0.38

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
SCHEMBL7004455 0.91 ALDH1A1 (0.46) KAT2BBRD9BRD4MAPTGAA
SCHEMBL7001264 0.89 KAT2B (0.47) KAT2BBRD9BRD4MAPTGAA
SCHEMBL7002772 0.85 RAB9A (0.51) MAPTGAAPKMRAB9ANPC1
SCHEMBL7000441 0.83 KAT2B (0.43) KAT2BBRD9BRD4MAPTGAA
SCHEMBL7006298 0.80 ALDH1A1 (0.46) KAT2BBRD9BRD4MAPTGAA
SCHEMBL7001162 0.79 NPC1 (0.44) MAPTGAAPKMRAB9ANPC1
SCHEMBL7001161 0.79 NPC1 (0.44) MAPTGAAPKMRAB9ANPC1
SCHEMBL7001314 0.78 RAB9A (0.52) MAPTGAAPKMRAB9ANPC1
SCHEMBL7002836 0.77 RAB9A (0.51) KAT2BBRD9BRD4MAPTGAA
SCHEMBL6998936 0.74 RAB9A (0.50) MAPTGAAPKMRAB9ANPC1

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