SCHEMBL1509825

SCHEMBL1509825

C=CCN(CC=C)c1cccc2ccc3cccc(N(CC=C)CC=C)c3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
CYP1A2 P05177 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
THRB P10828 2/20 0.33
KMT2A Q03164 2/20 0.33
NSD2 O96028 1/20 0.33
ATM Q13315 1/20 0.33
CRHR1 P34998 1/20 0.33
C5AR1 P21730 1/20 0.33
PTPN1 P18031 1/20 0.32
OPRM1 P35372 2/20 0.31
OPRD1 P41143 2/20 0.31

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
SCHEMBL1509676 0.94 KDM4E (0.45) KDM4EMAPTGAAALDH1A1HPGD
SCHEMBL9159932 0.85 JAK2 (0.35) KDM4EMAPTGAAALDH1A1HPGD
SCHEMBL11352251 0.82 ALDH1A1 (0.40) KDM4EMAPTGAAALDH1A1HPGD
SCHEMBL1509696 0.81 CRHR1 (0.31) CRHR1C5AR1
SCHEMBL9162028 0.80 KMT2A (0.35) KDM4EMAPTGAAALDH1A1HPGD
SCHEMBL1509706 0.78 C5AR1 (0.32) CYP3A4C5AR1OPRM1OPRD1OPRK1
SCHEMBL4557934 0.78 ALDH1A1 (0.46) KDM4EMAPTALDH1A1HPGDCYP1A2
SCHEMBL1509803 0.77 C5AR1 (0.31) C5AR1
SCHEMBL9160128 0.77 ALDH1A1 (0.37) KDM4EMAPTGAAALDH1A1HPGD
SCHEMBL9450404 0.77 ALDH1A1 (0.37) KDM4EMAPTGAAALDH1A1HPGD

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
US-8361653-B2 Non-aqueous electrolyte secondary battery SHARP KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
US-20110052982-A1 NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY SHARP KABUSHIKI KAISHA (JP) 2011-03-03 US disclosed