SCHEMBL4724067

SCHEMBL4724067

CCCCNC(=O)CN1CCc2c(-c3cc(OC)cc(OC)c3)nn(-c3cc(N4CCC(O)C4)ccc3C(F)(F)F)c(=O)c21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
F10 P00742 5/20 0.33
F2 P00734 1/20 0.33
MEN1 O00255 1/20 0.33
NOTUM Q6P988 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
GAA P10253 1/20 0.32
P2RX7 Q99572 1/20 0.32
CXCR3 P49682 3/20 0.32
EPHX2 P34913 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
RAB9A P51151 1/20 0.31
DPP4 P27487 2/20 0.31

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
SCHEMBL4724059 1.00 KMT2A (0.34) KMT2AF10F2MEN1NOTUM
SCHEMBL4724063 0.97 F10 (0.33) KMT2AF10F2MEN1NOTUM
SCHEMBL4724071 0.97 F10 (0.33) KMT2AF10F2MEN1NOTUM
SCHEMBL4721098 0.94 F10 (0.33) KMT2AF10F2NOTUMKDM4E
SCHEMBL4721094 0.94 F10 (0.33) KMT2AF10F2NOTUMKDM4E
SCHEMBL4720367 0.94 F10 (0.33) KMT2AF10F2NOTUMKDM4E
SCHEMBL4720373 0.94 F10 (0.33) KMT2AF10F2NOTUMKDM4E
SCHEMBL4720070 0.94 F10 (0.34) F10F2NOTUMRXFP1P2RX7
SCHEMBL4720064 0.94 F10 (0.34) F10F2NOTUMRXFP1P2RX7
SCHEMBL4719263 0.93 NOTUM (0.40) KMT2AF10F2MEN1NOTUM

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