SCHEMBL7809213

SCHEMBL7809213

Ic1ccc(Cn2cccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 3/20 0.38
IDO1 P14902 2/20 0.38
APP P05067 3/20 0.38
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
CYP19A1 P11511 2/20 0.36
MGLL Q99685 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL9440180 0.80 SMN1; SMN2 (0.47) HDAC1HDAC6NPC1RAB9AHTT
SCHEMBL6057565 0.78 HDAC1 (0.50) HDAC1HDAC6NPC1RAB9AHTT
SCHEMBL10878922 0.78 NPC1 (0.63) HDAC1HDAC6NPC1RAB9AHTT
SCHEMBL35352 0.77 CYP19A1 (0.56) HDAC1HDAC6SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8496488 0.76 HDAC1 (0.48) HDAC1HDAC6NPC1RAB9AHTT
SCHEMBL28061897 0.76 HDAC1 (0.53) HDAC1HDAC6NPC1RAB9AHTT
SCHEMBL28105722 0.76 HDAC1 (0.48) HDAC1HDAC6NPC1RAB9AHTT
SCHEMBL15201955 0.76 HDAC1 (0.48) HDAC1HDAC6NPC1RAB9AHTT
SCHEMBL27688547 0.76 CYP11B1 (0.57) HDAC1HDAC6NPC1RAB9AHTT
SCHEMBL3227272 0.76 NPC1 (0.64) HDAC1HDAC6NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1093536-C 5-lipoxygenase inhibitors PFIZER (US) 2002-10-30 CN disclosed
EP-0787127-B1 5-LIPOXYGENASE INHIBITORS PFIZER (US) 2001-01-03 EP disclosed
US-6063928-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, CARDIOTONIC AGENTS PFIZER INC (US) 2000-05-16 US disclosed
US-5883106-A 5-lipoxygenase inhibitors PFIZER INC. (US) 1999-03-16 US disclosed
CN-1169722-A 5-lipoxygenase inhibitors PFIZER (US) 1998-01-07 CN disclosed
EP-0787127-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1997-08-06 EP disclosed
WO-1996011911-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1996-04-25 WO disclosed
US-5276037-A Antiinflammatory agents, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-04 US disclosed
US-5272173-A 5-lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-21 US disclosed
US-5225438-A Lipoxygenase inhibitors for antiinflammatory agents or antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
EP-0488602-A1 Aryl derivatives ZENECA LIMITED (GB) 1992-06-03 EP disclosed