SCHEMBL2465148

SCHEMBL2465148

Nc1cc(-c2nc3ccccc3o2)nc(OC(=O)O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.42
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALPL P05186 1/20 0.42
POLB P06746 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AGPAT2 O15120 2/20 0.42
NPC1 O15118 6/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 4/20 0.40
HSD17B10 Q99714 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 5/20 0.39
PKM P14618 2/20 0.39

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
SCHEMBL2465146 0.81 RAB9A (0.45) RAB9AMAPTALDH1A1KDM4EMEN1
SCHEMBL2468806 0.81 MAPT (0.45) RAB9AMAPTALDH1A1KDM4EMEN1
SCHEMBL2470000 0.81 ACHE (0.45) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6167286 0.78 NPC1 (0.50) RAB9AMAPTALDH1A1KDM4EMEN1
SCHEMBL2465975 0.76 RAB9A (0.44) RAB9AMAPTALDH1A1KDM4EMEN1
SCHEMBL2464096 0.76 HSP90AA1 (0.46) RAB9AKDM4EMEN1KMT2AALPL
SCHEMBL2465825 0.75 CCR1 (0.45) MAPTKDM4EKMT2AALPLPOLB
SCHEMBL2467530 0.74 ADORA2A (0.40) NPC1
SCHEMBL2469200 0.74 PRKDC (0.39) RAB9AMAPTALDH1A1KDM4EMEN1
SCHEMBL2462741 0.74 CYP1A1 (0.50) RAB9AMAPTALDH1A1KDM4EMEN1

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-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939541-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