SCHEMBL9609739

SCHEMBL9609739

Cc1ccc2nc3cc(C)c(N)cc3[s+]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.44
TERT O14746 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
RAB9A P51151 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
MCL1 Q07820 1/20 0.41
NCK1 P16333 1/20 0.40
BACE1 P56817 1/20 0.40
NQO2 P16083 2/20 0.39
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
ACHE P22303 4/20 0.35

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
SCHEMBL13097884 0.87 APAF1 (0.44) APAF1TERTALDH1A1RAB9AMAPT
Tolonium SCHEMBL2626791 0.81 APAF1 (0.66) APAF1TERTALDH1A1TDP1RAB9A
SCHEMBL13097886 0.81 APAF1 (0.40) APAF1TERTALDH1A1TDP1RAB9A
SCHEMBL12620639 0.81 KDM4E (0.43) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
Tolonium SCHEMBL122592 0.80 APAF1 (0.64) APAF1TERTALDH1A1TDP1RAB9A
Tolonium SCHEMBL30495506 0.80 APAF1 (0.64) APAF1TERTALDH1A1TDP1RAB9A
SCHEMBL5696616 0.77 APAF1 (0.64) APAF1TERTALDH1A1TDP1RAB9A
Fluoride Ion SCHEMBL11289386 0.76 APAF1 (0.41) APAF1TERTALDH1A1TDP1RAB9A
Hydrochloric Acid SCHEMBL11285939 0.75 NCK1 (0.39) ALDH1A1TDP1RAB9AMAPTSMN1; SMN2
SCHEMBL9609768 0.71 APP (0.48) APAF1TERTALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921243-B2 Fabrics comprising a photocatalyst to produce singlet oxygen from ambient oxygen VENTANA RESEARCH CORPORATION 2014-12-30 US disclosed
US-8679990-B2 Self-decontaminating coatings and fabrics LOMBARDI JOHN L (US) 2014-03-25 US disclosed
US-20120135651-A1 Fabrics Comprising a Photocatalyst to Produce Singlet Oxygen from Ambient Oxygen VENTANA RESEARCH CORPORATION 2012-05-31 US disclosed