SCHEMBL4720926

SCHEMBL4720926

COc1cc(OC)cc(-c2nn(-c3cc(Br)ccc3C(F)(F)F)c(=O)c3c2CCN3CC(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.33
RET P07949 1/20 0.33
PRKX P51817 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33
AR P10275 1/20 0.33
AKR1B1 P15121 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
AKR1B10 O60218 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
PLA2G1B P04054 1/20 0.31
KMT2A Q03164 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL4723684 0.90 WDR5 (0.34) WDR5RETPRKXTAOK1AR
SCHEMBL4722667 0.89 AR (0.34) RETPRKXTAOK1ARAKR1B1
SCHEMBL14101709 0.89 F10 (0.39) ALPLALPIAKR1B10AKR1C4AKR1C3
SCHEMBL4721921 0.86 CXCR3 (0.33) WDR5ALPLALPICXCR3MAPT
SCHEMBL4720618 0.85 F10 (0.36) CXCR3F10
SCHEMBL4720620 0.85 F10 (0.36) CXCR3F10
SCHEMBL4718815 0.85 TSHR (0.37) RETPRKXTAOK1AKR1B10AKR1C4
SCHEMBL14102047 0.84 AR (0.34) RETPRKXTAOK1ARKMT2A
SCHEMBL14101712 0.83 F10 (0.39) ALPLALPICXCR3MAPTSLC16A3
SCHEMBL4722372 0.82 F10 (0.38) ALPLALPICXCR3MAPTSLC16A3

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