SCHEMBL9871503

SCHEMBL9871503

CCCCCC(C)(C)N1CN(c2ccc(N(C)C)cc2)CN(c2ccc(N(C)C)cc2)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
ALDH1A1 P00352 8/20 0.33
KDM4E B2RXH2 6/20 0.33
MAPT P10636 6/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
THRB P10828 1/20 0.33
GAA P10253 5/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
RAB9A P51151 4/20 0.32
NPC1 O15118 3/20 0.32
HPGD P15428 3/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HDAC11 Q96DB2 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL9245105 0.89 MEN1 (0.35) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL9871286 0.78 KDM4E (0.41) KDM4AKDM2AALDH1A1KDM4EMAPT
SCHEMBL9240992 0.77 MAPT (0.38) ALDH1A1MAPTTDP1GAAL3MBTL1
SCHEMBL9239787 0.77 MAPT (0.33) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL16633168 0.74 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL9240923 0.72 POLB (0.39) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL17366458 0.71 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL5358581 0.69 TSHR (0.38) THRBTSHR
SCHEMBL16640899 0.68 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL9244371 0.68 KDM4E (0.40) ALDH1A1KDM4EMAPTLMNAHTT

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
US-5019611-A Tetrahydrotriazinethiones THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-05-28 US claimed