SCHEMBL9871286

SCHEMBL9871286

CCCCN1CN(c2ccc(N(C)C)cc2)CN(c2ccc(N(C)C)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
GAA P10253 4/20 0.41
ALDH1A1 P00352 6/20 0.37
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
DRD3 P35462 2/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL9244371 0.86 KDM4E (0.40) KDM4EGAAALDH1A1MAPTL3MBTL1
SCHEMBL16633168 0.80 ALDH1A1 (0.55) KDM4EGAAALDH1A1MAPTL3MBTL1
SCHEMBL9242377 0.80 MAPT (0.55) KDM4EGAAALDH1A1MAPTL3MBTL1
SCHEMBL9240813 0.80 SIGMAR1 (0.53) ALDH1A1MAPTALOX15HSD17B10DRD3
SCHEMBL9871503 0.78 KDM4A (0.33) KDM4EGAAALDH1A1MAPTL3MBTL1
SCHEMBL9244927 0.74 DRD2 (0.40) KDM4EGAAALDH1A1MAPTLMNA
SCHEMBL9241135 0.74 HRH2 (0.43) KDM4EGAAALDH1A1MAPTL3MBTL1
SCHEMBL9241807 0.74 GAA (0.38) KDM4EGAAALDH1A1MAPTL3MBTL1
SCHEMBL16640899 0.73 ALDH1A1 (0.62) KDM4EGAAALDH1A1MAPTL3MBTL1
SCHEMBL9551175 0.72 SIGMAR1 (0.45) MAPTNPSR1DRD2

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