SCHEMBL28744827

SCHEMBL28744827

CCCCCCNc1c2ccccc2cc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
S1PR2 O95136 1/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ELANE P08246 2/20 0.47
CACNA2D1 P54289 1/20 0.47
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
MAPT P10636 1/20 0.44
KCNH3 Q9ULD8 1/20 0.44
ALOX15 P16050 1/20 0.43
POLB P06746 2/20 0.43
RAD52 P43351 2/20 0.43
NPC1 O15118 1/20 0.43
APOBEC3A P31941 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL27511792 1.00 SLC2A1 (0.53) SLC2A1SMN1; SMN2S1PR2LMNANPSR1
SCHEMBL27511461 0.93 SLC2A1 (0.48) SLC2A1NPSR1ELANECACNA2D1ALOX15
SCHEMBL10362358 0.91 POLB (0.49) SLC2A1LMNACACNA2D1MAPTPOLB
SCHEMBL11079898 0.86 SLC2A1 (0.45) SLC2A1SMN1; SMN2S1PR2LMNANPSR1
SCHEMBL8851369 0.85 IDO1 (0.44) SLC2A1SMN1; SMN2LMNAELANECACNA2D1
Water SCHEMBL11796764 0.85 SLC2A1 (0.44) SLC2A1SMN1; SMN2S1PR2LMNANPSR1
Methyl Phosphonate SCHEMBL4387220 0.83 TOP2A (0.42) SLC2A1ELANEHTTCNR1CNR2
Hydrochloric Acid SCHEMBL25416193 0.82 ESR1 (0.46) SLC2A1SMN1; SMN2S1PR2LMNANPSR1
SCHEMBL28038825 0.82 SLC2A1 (0.47) SLC2A1SMN1; SMN2S1PR2LMNANPSR1
SCHEMBL28039128 0.82 SLC2A1 (0.47) SLC2A1SMN1; SMN2S1PR2LMNANPSR1

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
CN-1259388-C Composition for organic electroluminescent device and organic electroluminescent device using the same TOYO INK MFG CO (JP) 2006-06-14 CN disclosed
CN-1526002-A Composition for organic electroluminescence element and organic electroluminescence element using the same ��ī�����˹��ʽ���� 2004-09-01 CN disclosed