SCHEMBL6998936

SCHEMBL6998936

O=c1c(Cl)c(N(CCCO)Cc2ccccc2)cnn1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.50
NPC1 O15118 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
MITF O75030 1/20 0.48
S1PR4 O95977 1/20 0.48
THRB P10828 1/20 0.48
XBP1 P17861 1/20 0.48
S1PR1 P21453 1/20 0.48
PAX8 Q06710 1/20 0.48
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 2/20 0.43
PKM P14618 1/20 0.40

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
SCHEMBL7002772 0.90 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL7001314 0.85 RAB9A (0.52) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL7001264 0.85 KAT2B (0.47) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL7003258 0.78 NPC1 (0.45) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL7003256 0.78 NPC1 (0.45) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL7006298 0.76 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6999530 0.74 KAT2B (0.48) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL7003236 0.73 NPBWR1 (0.41) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL9397355 0.72 RAB9A (0.76) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL9739364 0.71 NPBWR1 (0.45) RAB9ANPC1SMN1; SMN2HTTALDH1A1

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