SCHEMBL7001314

SCHEMBL7001314

O=c1c(Cl)c(N(CCCO)Cc2ccccc2)cnn1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 3/20 0.52
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
NPBWR1 P48145 2/20 0.42
HTT P42858 8/20 0.41
ALDH1A1 P00352 8/20 0.41
NPSR1 Q6W5P4 6/20 0.41
LMNA P02545 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
POLB P06746 2/20 0.40
MITF O75030 2/20 0.40
PKM P14618 2/20 0.40
BLM P54132 1/20 0.40
GPR35 Q9HC97 1/20 0.40
MAPT P10636 4/20 0.39
RECQL P46063 2/20 0.39

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
SCHEMBL7001264 0.86 KAT2B (0.47) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL7003258 0.85 NPC1 (0.45) RAB9ANPC1KMT2AMEN1HTT
SCHEMBL7003256 0.85 NPC1 (0.45) RAB9ANPC1KMT2AMEN1HTT
SCHEMBL6998936 0.85 RAB9A (0.50) RAB9ANPC1KMT2AMEN1NPBWR1
SCHEMBL9739364 0.84 NPBWR1 (0.45) RAB9ANPC1KMT2AMEN1NPBWR1
SCHEMBL6999530 0.78 KAT2B (0.48) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL7002772 0.77 RAB9A (0.51) RAB9ANPC1KMT2AMEN1HTT
SCHEMBL7006298 0.77 ALDH1A1 (0.46) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL7001161 0.76 NPC1 (0.44) RAB9ANPC1KMT2AMEN1NPBWR1
SCHEMBL7001162 0.76 NPC1 (0.44) RAB9ANPC1KMT2AMEN1NPBWR1

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