SCHEMBL6027445

SCHEMBL6027445

CCCCNc1ccccc1CCl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
HTT P42858 3/20 0.47
LMNA P02545 1/20 0.47
TLR8 Q9NR97 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
NR4A2 P43354 1/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 2/20 0.39
APAF1 O14727 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3966040 0.85 POLB (0.60) POLBHTTLMNATLR8L3MBTL1
SCHEMBL10408180 0.83 POLB (0.46) POLBHTTLMNATLR8L3MBTL1
SCHEMBL5605579 0.82 LMNA (0.62) POLBHTTLMNATLR8L3MBTL1
SCHEMBL309485 0.82 TLR8 (0.53) POLBHTTTLR8L3MBTL1KDM4E
SCHEMBL25366175 0.81 TLR8 (0.47) POLBHTTLMNATLR8L3MBTL1
SCHEMBL10407866 0.79 POLB (0.54) POLBTLR8L3MBTL1CYP1A2CYP2C9
SCHEMBL20917753 0.79 POLB (0.43) POLBHTTLMNATLR8L3MBTL1
SCHEMBL1438701 0.79 POLB (0.40) POLBHTTLMNATLR8L3MBTL1
Hydrochloric Acid SCHEMBL9224499 0.79 AR (0.42) POLBHTTLMNASMN1; SMN2TSHR
SCHEMBL10408672 0.78 LIPG (0.49) POLBTLR8L3MBTL1

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-1644722-A1 OPTIMIZED DETERMINATION OF VOLTAGE CHANGES USING A VOLTAGE-SENSITIVE DYE Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2006-04-12 EP disclosed
WO-2005001448-A1 OPTIMIZED DETERMINATION OF VOLTAGE CHANGES USING A VOLTAGE-SENSITIVE DYE MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2005-01-06 WO disclosed