SCHEMBL6615567

SCHEMBL6615567

O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)c2nc(N3CCC3)oc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 5/20 0.39
PPARG P37231 1/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 4/20 0.35
MEN1 O00255 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
XBP1 P17861 1/20 0.35
RAB9A P51151 1/20 0.35
CCR6 P51684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
MGLL Q99685 1/20 0.34
THRB P10828 1/20 0.34
GLA P06280 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL6610665 0.97 MAPT (0.43) MAPTALDH1A1KDM4EKMT2APPARG
SCHEMBL6612265 0.93 ALDH1A1 (0.43) MAPTALDH1A1KDM4EKMT2ALMNA
SCHEMBL6613477 0.81 MAPK1 (0.47) MAPTALDH1A1KDM4EKMT2ALMNA
SCHEMBL6609547 0.80 MAPT (0.48) MAPTALDH1A1KDM4EKMT2AGAA
SCHEMBL6610260 0.80 PLA2G1B (0.35) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL4699755 0.73 KMT2A (0.44) MAPTALDH1A1KDM4EKMT2APPARG
SCHEMBL7253909 0.72 ALDH1A1 (0.42) MAPTALDH1A1KDM4EKMT2APPARG
SCHEMBL6612197 0.71 PIK3CD (0.34)
SCHEMBL5798941 0.71 MAPT (0.51) MAPTALDH1A1KDM4EKMT2APPARG
SCHEMBL73947 0.70 PDE4D (0.42) MAPTALDH1A1KDM4EKMT2APPARG

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 4 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