SCHEMBL9284366

SCHEMBL9284366

N#CCCc1ccccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.50
ADRA2C P18825 1/20 0.46
KMT2A Q03164 2/20 0.43
FOLH1 Q04609 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
MEN1 O00255 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KCNA5 P22460 2/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
KCNH2 Q12809 1/20 0.40
FFAR1 O14842 1/20 0.38

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
SCHEMBL27658164 0.90 DPP4 (0.48) DPP4ADRA2CKMT2AFOLH1PTGER1
SCHEMBL27678166 0.87 DPP4 (0.46) DPP4ADRA2CKMT2AFOLH1PTGER1
SCHEMBL9874522 0.85 DPP4 (0.44) DPP4ADRA2CKMT2AFOLH1PTGER1
SCHEMBL4653662 0.85 FFAR1 (0.40) DPP4ADRA2CKMT2AMEN1FFAR1
SCHEMBL9875547 0.85 DPP4 (0.44) DPP4ADRA2CKMT2AFOLH1PTGER1
SCHEMBL10907039 0.85 DPP4 (0.44) DPP4ADRA2CKMT2AFOLH1PTGER1
SCHEMBL5943144 0.85 DPP4 (0.44) DPP4ADRA2CKMT2AFOLH1PTGER1
SCHEMBL7791575 0.84 PTGER1 (0.40) DPP4ADRA2CKMT2APTGER1PTGER4
SCHEMBL11738380 0.84 GSTP1 (0.40) DPP4ADRA2CKMT2AMEN1FFAR1
SCHEMBL1343377 0.81 DPP4 (0.56) DPP4ADRA2CKMT2AFOLH1PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101652363-B Thiazolyl compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2013-04-17 CN disclosed
CN-101282949-B Azole and thiazole derivatives and uses thereof ARGENTA DISCOVERY LTD 2012-05-23 CN disclosed
CN-101652363-A Thiazolyl compounds as kinase inhibitor SQUIBB BRISTOL MYERS CO US 2010-02-17 CN disclosed
CN-101282949-A Azole and thiazole derivatives and their use ARGENTA DISCOVERY LTD (GB) 2008-10-08 CN disclosed
CN-101230062-A Muscarinic acetycholine receptor antagonists GLAXO GROUP LTD (GB) 2008-07-30 CN disclosed
CN-101230061-A Muscarinic acetycholine receptor antagonists GLAXO GROUP LTD (GB) 2008-07-30 CN disclosed
CN-1373744-A Method for producing 2-hydroxycarboxylic acid esters BASF AG (DE) 2002-10-09 CN disclosed
EP-0659179-A4 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE. MERCK & CO INC (US) 1995-08-09 EP disclosed
EP-0659179-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-06-28 EP disclosed