SCHEMBL4722947

SCHEMBL4722947

COc1cc(OC)cc(-c2nn(-c3cc(N4CCC(CNC(C)=O)C4)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.39
ALDH1A1 P00352 9/20 0.39
MAPK1 P28482 9/20 0.39
ALOX15 P16050 3/20 0.39
KDM4E B2RXH2 4/20 0.38
MCL1 Q07820 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 9/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4722220 0.94 GRIA2 (0.35) MAPTALDH1A1MAPK1ALOX15LMNA
SCHEMBL4722930 0.90 PDE4A (0.37) MAPTALDH1A1ALOX15KDM4EL3MBTL1
SCHEMBL4719026 0.89 ACACB (0.38) ALDH1A1MEN1KMT2AACACBUGCG
SCHEMBL4722304 0.89 NOTUM (0.36) MAPTALDH1A1MAPK1ALOX15KDM4E
SCHEMBL4723325 0.89 NOTUM (0.36) MAPTALDH1A1MAPK1ALOX15KDM4E
SCHEMBL4722182 0.89 NOTUM (0.36) MAPTALDH1A1MAPK1ALOX15KDM4E
SCHEMBL4720191 0.88 ACACB (0.37) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL4720535 0.88 SMPD3 (0.40) ACACBUGCG
SCHEMBL4724110 0.88 SMPD3 (0.40) ACACBUGCG
SCHEMBL4720529 0.88 SMPD3 (0.40) ACACBUGCG

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