SCHEMBL5881377

SCHEMBL5881377

[O]C#Cc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CHAT P28329 1/20 0.50
GRM5 P41594 1/20 0.46
ALDH1A1 P00352 6/20 0.43
CYP2A6 P11509 3/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MITF O75030 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAD52 P43351 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 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
SCHEMBL29661843 0.87 CHAT (0.60) CA1CA2CHATGRM5ALDH1A1
SCHEMBL2776015 0.87 CHAT (0.60) CA1CA2CHATGRM5ALDH1A1
SCHEMBL6364668 0.85 CHAT (0.58) CA1CA2CHATGRM5ALDH1A1
SCHEMBL5014214 0.83 CHAT (0.52) CA1CA2CHATGRM5ALDH1A1
SCHEMBL28836680 0.81 ALDH1A1 (0.50) CA1CA2CHATGRM5ALDH1A1
SCHEMBL730485 0.80 CHAT (0.46) CA1CA2CHATGRM5ALDH1A1
SCHEMBL7103761 0.79 CHAT (0.53) CA1CA2CHATGRM5ALDH1A1
SCHEMBL5881381 0.79 CHAT (0.49) CA1CA2CHATGRM5ALDH1A1
SCHEMBL3154488 0.79 CHAT (0.49) CA1CA2CHATGRM5ALDH1A1
SCHEMBL6364670 0.79 CHAT (0.68) CA1CA2CHATGRM5ALDH1A1

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-6989420-B2 Coating liquid for producing insulating film having low dielectric constant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-24 US disclosed
US-20030130391-A1 Coating liquid for producing insulating film having low dielectric constant SUMITOMO CHEMICAL COMPANY, LIMITED 2003-07-10 US disclosed