SCHEMBL4736404

SCHEMBL4736404

O=Cc1c(OC(F)F)ccc2oc3ccc([N+](=O)[O-])cc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 2/20 0.41
GLA P06280 1/20 0.41
PTPN1 P18031 1/20 0.41
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 2/20 0.39
KDM1A O60341 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
XBP1 P17861 1/20 0.38
CCR6 P51684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37

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
SCHEMBL1302395 0.83 PTPN1 (0.44) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL4350121 0.81 MEN1 (0.37) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL2493654 0.75 CYP1A2 (0.36) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL1301737 0.75 MAOA (0.43) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL13620937 0.74 PDE4D (0.46) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL8173204 0.74 MEN1 (0.55) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL4062559 0.71 GABRP (0.36) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL8609293 0.71 MAPT (0.51) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL4491054 0.71 MAPT (0.38) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL4491052 0.71 MAPT (0.38) MAPTMEN1KMT2AALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008065522-A2 PROCESS FOR THE SYNTHESIS OF 4-DIFLUOROMETHOXY-8-NITRO-1-FORMYL DIBENZO[B,D] FURAN-AN INTERMEDIATE FOR PDE IV INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-06-05 WO disclosed