SCHEMBL4551975

SCHEMBL4551975

Cc1ccc(Nc2cc(F)cc(N3CCOCC3)c2)cc1-c1cc(C(=O)NCc2ccc3c(c2)OCO3)on1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 6/20 0.45
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.42
ALOX15 P16050 2/20 0.42
THRB P10828 1/20 0.42
ALOX12 P18054 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL4551976 0.90 RAF1 (0.52) L3MBTL1MAPTKMT2AMEN1KDM4E
SCHEMBL4541474 0.88 RAF1 (0.42) L3MBTL1KMT2AKDM4ERECQL
SCHEMBL5604081 0.85 RAF1 (0.42) MAPTKDM4EPOLB
SCHEMBL4551775 0.85 MAPT (0.48) MAPTKDM4ETHRBNPC1POLB
SCHEMBL4551703 0.85 MAPK14 (0.48) POLB
SCHEMBL5603996 0.85 NAMPT (0.45) MAPTLMNATSHRTP53
SCHEMBL4552281 0.84 RAF1 (0.45)
SCHEMBL4551892 0.83 RAF1 (0.44)
SCHEMBL4551493 0.83 NAMPT (0.43) MAPTLMNATSHRTP53
SCHEMBL5603194 0.82 RAF1 (0.43) ALDH1A1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed