SCHEMBL6609547

SCHEMBL6609547

CCc1nc2c(OC(F)F)ccc(C(=O)Oc3ccc([N+](=O)[O-])cc3)c2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 7/20 0.40
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 4/20 0.37
MEN1 O00255 4/20 0.37
HTT P42858 3/20 0.37
LMNA P02545 2/20 0.37
XBP1 P17861 1/20 0.37
RAB9A P51151 1/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PKM P14618 1/20 0.36
MGLL Q99685 1/20 0.36
HTR2A P28223 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL6610918 0.88 MAPT (0.52) MAPTALDH1A1KDM4EKMT2ABCL9
SCHEMBL6615567 0.80 MAPT (0.44) MAPTALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL6610665 0.80 MAPT (0.43) MAPTALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL6612265 0.79 ALDH1A1 (0.43) MAPTALDH1A1KDM4EKMT2AHPGD
SCHEMBL4699755 0.77 KMT2A (0.44) MAPTALDH1A1KDM4EKMT2ABCL9
SCHEMBL7253909 0.77 ALDH1A1 (0.42) MAPTALDH1A1KDM4EKMT2AHPGD
SCHEMBL73069 0.74 MAPT (0.40) MAPTALDH1A1KDM4EKMT2ABCL9
SCHEMBL6605271 0.74 KMT2A (0.41) MAPTALDH1A1KDM4EKMT2ABCL9
SCHEMBL5798941 0.73 MAPT (0.51) MAPTALDH1A1KDM4EKMT2AHPGD
SCHEMBL7009162 0.73 PDE4A (0.53) MAPTALDH1A1KDM4EKMT2ABCL9

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-1261605-B1 BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2004-11-10 EP disclosed
EP-1261605-A1 BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS Darwin Discovery Limited (GB) 2002-12-04 EP disclosed
US-6403791-B1 TREATMENT OF INFLAMMATORY DISEASES OR AUTOIMMUNE DISEASES IN HUMANS OR ANIMALS DARWIN DISCOVERY, LTD. (GB) 2002-06-11 US disclosed
WO-2001058896-A1 BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-08-16 WO disclosed
WO-2000048998-A1 AMINO(THIO)PHENOLS AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 2000-08-24 WO disclosed