SCHEMBL8556893

SCHEMBL8556893

O=C(CCCl)Nc1ccccc1Cl

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.77
MEN1 O00255 3/20 0.77
HTT P42858 1/20 0.69
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
POLB P06746 1/20 0.56
G6PD P11413 1/20 0.56
HPGD P15428 1/20 0.55
CYP1A2 P05177 1/20 0.54
HDAC1 Q13547 1/20 0.54

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
SCHEMBL2317149 0.87 HTT (0.88) KMT2AMEN1HTTNPC1RAB9A
SCHEMBL1272337 0.85 KMT2A (0.70) KMT2AMEN1HTTNPC1RAB9A
SCHEMBL9311985 0.84 KMT2A (0.75) KMT2AMEN1HTTNPC1RAB9A
SCHEMBL13901436 0.84 KMT2A (0.74) KMT2AMEN1HTTNPC1RAB9A
SCHEMBL8286986 0.84 KMT2A (0.74) KMT2AMEN1HTTNPC1RAB9A
SCHEMBL18496176 0.83 MEN1 (0.58) KMT2AMEN1HTTPOLBHDAC1
SCHEMBL1059736 0.82 KMT2A (0.72) KMT2AMEN1HTTNPC1RAB9A
SCHEMBL5429131 0.81 RAB9A (0.56) KMT2AMEN1HTTNPC1RAB9A
SCHEMBL6072206 0.81 KMT2A (0.70) KMT2AMEN1HTTNPC1RAB9A
SCHEMBL19185049 0.81 MEN1 (0.70) KMT2AMEN1HTTNPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP disclosed
US-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US disclosed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US disclosed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO disclosed
EP-0623614-A1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-11-09 EP disclosed