SCHEMBL15515380

SCHEMBL15515380

O=C(O)Oc1cccc2oc(C(F)(F)C(F)(F)F)nc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.40
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.31
EDNRA P25101 1/20 0.31
TOP2A P11388 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
SCHEMBL15515379 0.79 MAOB (0.44) ELANEKDM4ELMNATOP2A
SCHEMBL15515894 0.70 DYRK1A (0.39) KDM4EL3MBTL1LMNAPOLB
SCHEMBL3123413 0.68 ELANE (0.54) ELANEKDM4ELMNAPOLB
SCHEMBL2394770 0.68 ELANE (0.37) ELANEKDM4EL3MBTL1LMNA
SCHEMBL19029855 0.66 PGK1 (0.36) ELANEKDM4EL3MBTL1
SCHEMBL15515654 0.66 AGPAT2 (0.42) KDM4ELMNAPOLBTOP2A
SCHEMBL317958 0.62 NQO2 (0.58) KDM4EL3MBTL1LMNAMETAP2METAP1
SCHEMBL3415803 0.62 LMNA (0.71) KDM4EL3MBTL1USP2LMNAMETAP2
SCHEMBL9203792 0.62 KDM4E (0.43) ELANEKDM4EL3MBTL1LMNAEDNRA
SCHEMBL8708513 0.62 CNR2 (0.44) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2892345-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP disclosed
WO-2014037340-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO disclosed