SCHEMBL8014120

SCHEMBL8014120

c1csc(-c2ccc(N(c3ccc(-c4cccs4)cc3)c3ccc(-c4cccs4)cc3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
CYP17A1 P05093 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
KCNH2 Q12809 1/20 0.48
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.45
HCRTR1 O43613 1/20 0.45

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
SCHEMBL2344484 1.00 LTA4H (0.55) LTA4HCYP17A1CYP11B1CYP11B2KCNH2
SCHEMBL14192249 0.98 LTA4H (0.53) LTA4HCYP17A1CYP11B1CYP11B2KCNH2
SCHEMBL10029848 0.98 LTA4H (0.53) LTA4HCYP17A1CYP11B1CYP11B2KCNH2
SCHEMBL15591130 0.98 LTA4H (0.53) LTA4HCYP17A1CYP11B1CYP11B2KCNH2
SCHEMBL867469 0.94 LTA4H (0.50) LTA4HCYP17A1CYP11B1CYP11B2KCNH2
SCHEMBL14253104 0.94 LTA4H (0.50) LTA4HCYP17A1CYP11B1CYP11B2KCNH2
SCHEMBL15591131 0.92 LTA4H (0.48) LTA4HCYP17A1CYP11B1CYP11B2KCNH2
SCHEMBL12893274 0.90 LTA4H (0.47) LTA4HCYP17A1CYP11B1CYP11B2KCNH2
SCHEMBL12372897 0.90 APP (0.51) LTA4HCYP17A1CYP11B1CYP11B2KCNH2
SCHEMBL7263726 0.90 ALDH1A1 (0.50) LTA4HCYP17A1CYP11B1CYP11B2KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6160267-A Vapochromic led REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2000-12-12 US claimed