SCHEMBL2531996

SCHEMBL2531996

CC(=O)Nc1c(C)c(C(=O)c2cc(Br)no2)nc(C(=O)O)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
HSP90AB1 P08238 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2493294 0.81 TDP1 (0.39) HCAR2
SCHEMBL2532023 0.78
SCHEMBL3842843 0.71 TDP1 (0.43) HCAR2LMNAKDM4EMEN1MAPK1
SCHEMBL3329174 0.68 ALDH1A1 (0.36) LMNAKDM4EMAPK1TP53POLB
SCHEMBL568672 0.64
SCHEMBL30722779 0.63 KDM4E (0.37) LMNAKDM4EMEN1MAPK1KMT2A
SCHEMBL26988845 0.63 KDM4E (0.37) LMNAKDM4EMEN1MAPK1KMT2A
SCHEMBL6164151 0.62 ALDH1A1 (0.43) KDM4EMEN1MAPK1KMT2AHSP90AB1
Hydrochloric Acid SCHEMBL10999756 0.62 HCAR2 (0.55) HCAR2KDM4EKMT2APOLB
SCHEMBL1641444 0.62

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