SCHEMBL6205503

SCHEMBL6205503

COC([O])c1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
PSEN1 P49768 5/20 0.42
PSEN2 P49810 5/20 0.42
APH1B Q8WW43 5/20 0.42
NCSTN Q92542 5/20 0.42
APH1A Q96BI3 5/20 0.42
PSENEN Q9NZ42 5/20 0.42
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
NFE2L2 Q16236 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
APLNR P35414 2/20 0.33

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
SCHEMBL7123183 0.84 CES2 (0.43) CES2CES1APLNR
SCHEMBL6204193 0.79 CES2 (0.42) CES2CES1PSEN1PSEN2APH1B
SCHEMBL16957444 0.78 CES2 (0.41) CES2CES1PSEN1PSEN2APH1B
SCHEMBL15854032 0.78 PSEN1 (0.44) CES2CES1PSEN1PSEN2APH1B
SCHEMBL6205507 0.76 CES2 (0.47) CES2CES1PSEN1PSEN2APH1B
SCHEMBL6204869 0.75 MEN1 (0.41) CES2CES1MEN1MAPTKMT2A
SCHEMBL2651416 0.73 MMP2 (0.39) CES2CES1PSEN1PSEN2APH1B
SCHEMBL1601682 0.72 PSEN1 (0.46) CES2CES1PSEN1PSEN2APH1B
SCHEMBL383806 0.72 CES2 (0.46) CES2CES1PSEN1PSEN2APH1B
SCHEMBL423296 0.72 PSEN1 (0.49) CES2CES1PSEN1PSEN2APH1B

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-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed