SCHEMBL7002772

SCHEMBL7002772

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.51
NPC1 O15118 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 2/20 0.49
MITF O75030 1/20 0.49
S1PR4 O95977 1/20 0.49
THRB P10828 1/20 0.49
XBP1 P17861 1/20 0.49
S1PR1 P21453 1/20 0.49
PAX8 Q06710 1/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 2/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 2/20 0.43
MAPK14 Q16539 1/20 0.41

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
SCHEMBL6998936 0.90 RAB9A (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL6999530 0.85 KAT2B (0.48) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL7001161 0.78 NPC1 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL7001162 0.78 NPC1 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL7001314 0.77 RAB9A (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL7004455 0.75 ALDH1A1 (0.46) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL7001264 0.74 KAT2B (0.47) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL9397355 0.73 RAB9A (0.76) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL11726417 0.71 RAB9A (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL7000441 0.71 KAT2B (0.43) RAB9ANPC1ALDH1A1MAPTMEN1

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 2 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