SCHEMBL4724063

SCHEMBL4724063

CCCCCCNC(=O)CN1CCc2c(-c3cc(OC)cc(OC)c3)nn(-c3cc(N4CC[C@H](O)C4)ccc3C(F)(F)F)c(=O)c21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.33
F2 P00734 1/20 0.33
FSHR P23945 1/20 0.32
KMT2A Q03164 2/20 0.32
NOTUM Q6P988 1/20 0.32
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
P2RX7 Q99572 1/20 0.31
MEN1 O00255 1/20 0.31
CXCR3 P49682 3/20 0.31
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
RAB9A P51151 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
SCHEMBL4724071 1.00 F10 (0.33) F10F2FSHRKMT2ANOTUM
SCHEMBL4724059 0.97 KMT2A (0.34) F10F2KMT2ANOTUMMAPT
SCHEMBL4724067 0.97 KMT2A (0.34) F10F2KMT2ANOTUMMAPT
SCHEMBL4720367 0.95 F10 (0.33) F10F2KMT2ANOTUMGAA
SCHEMBL4721094 0.94 F10 (0.33) F10F2KMT2ANOTUMGAA
SCHEMBL4720070 0.93 F10 (0.34) F10F2NOTUMP2RX7CXCR3
SCHEMBL4720064 0.93 F10 (0.34) F10F2NOTUMP2RX7CXCR3
SCHEMBL4719263 0.92 NOTUM (0.40) F10F2KMT2ANOTUMMAPT
SCHEMBL4722850 0.92 F10 (0.33) F10F2KMT2ANOTUMP2RX7
SCHEMBL4720061 0.92 F10 (0.33) F10F2KMT2ANOTUMP2RX7

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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed