SCHEMBL2465825

SCHEMBL2465825

Nc1cc(-c2ccccn2)nc(OC(=O)O)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.45
CCR5 P51681 3/20 0.45
CCR8 P51685 3/20 0.45
SQOR Q9Y6N5 1/20 0.42
ADORA3 P0DMS8 5/20 0.41
KDM4E B2RXH2 3/20 0.41
KDM6B O15054 1/20 0.41
KDM4A O75164 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PIN1 Q13526 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 3/20 0.38
DHODH Q02127 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
SCHEMBL2470000 0.85 ACHE (0.45) ADORA3KDM4ETDP1KMT2AMAPT
SCHEMBL2466200 0.82 PIM2 (0.36) ADORA3KDM4ECYP3A4DHODHHTT
SCHEMBL2464096 0.80 HSP90AA1 (0.46) KDM4EKMT2ACYP1A2ALPLHSP90AA1
SCHEMBL2466332 0.80 MAPT (0.44) SQORCYP3A4CYP2C9KMT2ADHODH
SCHEMBL2465823 0.80 CCR1 (0.49) CCR1CCR5CCR8ADORA3KDM4E
SCHEMBL2462741 0.78 CYP1A1 (0.50) KDM4ENPSR1KMT2AMAPTLMNA
SCHEMBL2467530 0.78 ADORA2A (0.40) ADORA3
SCHEMBL2469200 0.78 PRKDC (0.39) KDM4ECYP2C9KMT2AMAPTLMNA
SCHEMBL2468160 0.78 CTRC (0.46) SQORADORA3KDM4ECYP2C9TDP1
SCHEMBL2465208 0.76 PIM1 (0.34) CYP3A4KMT2A

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-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2369929-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP disclosed
WO-2010060581-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO disclosed
EP-2191719-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-06-02 EP disclosed