SCHEMBL3051865

SCHEMBL3051865

CCCC1COC(c2ccccc2)=N1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
MAPT P10636 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
POLB P06746 1/20 0.54
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
ALDH1A1 P00352 2/20 0.45
NOS3 P29474 2/20 0.44
NOS2 P35228 2/20 0.44
NOS1 P29475 1/20 0.44
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL10358866 0.88 NPC1 (0.55) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL13980023 0.88 NPC1 (0.55) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL7691543 0.88 NPC1 (0.55) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL13107421 0.87 HTT (0.45) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL1456683 0.85 HTT (0.55) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL1455844 0.85 HTT (0.55) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL1455843 0.85 HTT (0.55) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL13868568 0.83 NPC1 (0.54) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL13786813 0.83 NPC1 (0.54) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL1439672 0.81 NPC1 (0.49) NPC1MAPTRAB9ASMN1; SMN2POLB

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-102712802-B Polylactic acid composition TEIJIN LTD 2014-09-24 CN disclosed
US-20100222486-A1 AROMATIC POLYCARBONATE RESIN COMPOSITION TEIJIN CHEMICALS LTD. (JP) 2010-09-02 US disclosed