SCHEMBL4347243

SCHEMBL4347243

CC(C)c1nc2ccc(C(=O)N3CC4(C)CN(C(=O)c5ccc6nc(C(C)C)c(C(C)C)nc6c5)CC(C)(C3)C4)cc2nc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 9/20 0.41
KMT2A Q03164 4/20 0.39
CACNA1B Q00975 2/20 0.39
APBA1 Q02410 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
ESR2 Q92731 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.38
MEN1 O00255 2/20 0.37

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
SCHEMBL4349007 0.86 KMT2A (0.41) MAPTALDH1A1HPGDKMT2ACACNA1B
SCHEMBL4347126 0.85 TDP1 (0.53) MAPTALDH1A1HPGDKMT2ACACNA1B
SCHEMBL4346476 0.79 HPGD (0.61) MAPTALDH1A1HPGDKMT2APOLB
SCHEMBL4356080 0.78 HPGD (0.41) MAPTALDH1A1HPGD
SCHEMBL4354045 0.75 KMT2A (0.44) MAPTALDH1A1HPGDKMT2ATDP1
SCHEMBL4351695 0.74 KDM4E (0.49) MAPTALDH1A1HPGDKDM4E
SCHEMBL9822932 0.73 CYP2A6 (0.49) MAPTALDH1A1HPGDKMT2AKDM4E
SCHEMBL4350146 0.71 TDP1 (0.51) MAPTALDH1A1HPGDKMT2ACACNA1B
SCHEMBL6180023 0.69 NPC1 (0.55) MAPTALDH1A1HPGDKMT2AKDM4E
SCHEMBL4342175 0.68 HPGD (0.62) ALDH1A1HPGDKMT2APOLBMAPK1

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-2088149-A1 PHARMACOLOGICALLY ACTIVE N,N'-SUBSTITUTED 3,7-DIAZABICYCLO Ý3.3.1¨NONANES, PHARMACEUTICAL COMPOSITIONS BASED THEREON AND A METHOD FOR THE USE THEREOF Institute of Physiologically active compunds of the Russian Academy of Sciences (IPAC RAN) (RU) 2009-08-12 EP claimed
EP-2088149-A1 PHARMACOLOGICALLY ACTIVE N,N'-SUBSTITUTED 3,7-DIAZABICYCLO Ý3.3.1¨NONANES, PHARMACEUTICAL COMPOSITIONS BASED THEREON AND A METHOD FOR THE USE THEREOF Institute of Physiologically active compunds of the Russian Academy of Sciences (IPAC RAN) (RU) 2009-08-12 EP disclosed