SCHEMBL4722541

SCHEMBL4722541

COc1cc(OC)cc(-c2nn(-c3cc(N4CC[C@H](O)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3CC(=O)NCCCN2CCN(CCCNC(C)=O)CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRK1 P41145 5/20 0.35
KDM4E B2RXH2 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
MDM4 O15151 1/20 0.33
MDM2 Q00987 1/20 0.33
OPRM1 P35372 1/20 0.33
NPC1 O15118 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
F10 P00742 2/20 0.33
RAB9A P51151 2/20 0.33
F2 P00734 1/20 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
SCHEMBL4722547 1.00 KMT2A (0.35) KMT2AMEN1USP2LMNAMAPT
SCHEMBL4721094 0.96 F10 (0.33) KMT2AKDM4EF10F2
SCHEMBL4721098 0.96 F10 (0.33) KMT2AKDM4EF10F2
SCHEMBL4720367 0.96 F10 (0.33) KMT2AKDM4EF10F2
SCHEMBL4720373 0.96 F10 (0.33) KMT2AKDM4EF10F2
SCHEMBL4720061 0.95 F10 (0.33) KMT2AMEN1LMNAF10F2
SCHEMBL4720066 0.95 F10 (0.33) KMT2AMEN1LMNAF10F2
SCHEMBL4724067 0.92 KMT2A (0.34) KMT2AMEN1MAPTKDM4EOPRM1
SCHEMBL4724059 0.92 KMT2A (0.34) KMT2AMEN1MAPTKDM4EOPRM1
SCHEMBL14101989 0.92 ADRA1D (0.39) KMT2AMEN1USP2LMNAMAPT

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