SCHEMBL5331278

SCHEMBL5331278

NC(Cc1ccc2c(c1)C1C=CCC1C(C1=COC(c3ccccc3Br)O1)N2)OC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 3/20 0.37
AR P10275 2/20 0.37
MAPT P10636 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TP53 P04637 1/20 0.37
GPER1 Q99527 3/20 0.37
GPR183 P32249 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CHRNA7 P36544 2/20 0.36

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
SCHEMBL916447 0.81 MAPT (0.43) MCL1MEN1KMT2APOLBAR
SCHEMBL916069 0.79 AR (0.38) MEN1KMT2APOLBARMAPT
SCHEMBL916392 0.77 MAPT (0.54) MCL1MEN1KMT2APOLBAR
SCHEMBL916776 0.76 MAPT (0.44) MEN1KMT2APOLBARMAPT
SCHEMBL917264 0.74 ESR1 (0.37) MCL1MEN1KMT2APOLBAR
SCHEMBL916037 0.69 ESR1 (0.37) MCL1MEN1KMT2APOLBAR
SCHEMBL916165 0.69 KMT2A (0.55) MCL1MEN1KMT2APOLBAR
SCHEMBL915341 0.67 KMT2A (0.52) MCL1MEN1KMT2APOLBAR
SCHEMBL915287 0.65 KMT2A (0.52) MCL1MEN1KMT2APOLBAR
SCHEMBL21105585 0.64 GPER1 (0.71) MCL1MEN1KMT2APOLBAR

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
WO-2007019180-A2 COMPOUNDS FOR BINDING TO ERALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2007-02-15 WO disclosed