SCHEMBL4721094

SCHEMBL4721094

COc1cc(OC)cc(-c2nn(-c3cc(N4CC[C@H](O)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3CC(=O)NCCCCNC(C)=O)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.33
F2 P00734 3/20 0.33
NOTUM Q6P988 1/20 0.32
P2RX7 Q99572 1/20 0.32
ACACB O00763 1/20 0.31
CXCR3 P49682 2/20 0.31
MYC P01106 2/20 0.31
WDR5 P61964 2/20 0.31
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
SCD O00767 1/20 0.30
GAA P10253 1/20 0.30
CCR1 P32246 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
SCHEMBL4721098 1.00 F10 (0.33) F10F2NOTUMP2RX7ACACB
SCHEMBL4720373 0.99 F10 (0.33) F10F2NOTUMP2RX7ACACB
SCHEMBL4720367 0.99 F10 (0.33) F10F2NOTUMP2RX7ACACB
SCHEMBL4720061 0.97 F10 (0.33) F10F2NOTUMP2RX7ACACB
SCHEMBL4720066 0.97 F10 (0.33) F10F2NOTUMP2RX7ACACB
SCHEMBL4722541 0.96 KMT2A (0.35) F10F2KDM4EKMT2A
SCHEMBL4722547 0.96 KMT2A (0.35) F10F2KDM4EKMT2A
SCHEMBL4724071 0.94 F10 (0.33) F10F2NOTUMP2RX7CXCR3
SCHEMBL4724063 0.94 F10 (0.33) F10F2NOTUMP2RX7CXCR3
SCHEMBL4724059 0.94 KMT2A (0.34) F10F2NOTUMP2RX7CXCR3

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