SCHEMBL5829255

SCHEMBL5829255

Cc1cccc(C(=O)Nc2cccc(-n3nnnc3S)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 15/20 0.58
KCNK9 Q9NPC2 11/20 0.58
KCNH2 Q12809 1/20 0.58
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
RXFP1 Q9HBX9 1/20 0.54
POLB P06746 1/20 0.54
NT5E P21589 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL5829495 0.90 RAB9A (0.49) KCNK3KCNK9MEN1KMT2APOLB
SCHEMBL5669641 0.88 POLB (0.54) KCNK3KCNK9MEN1KMT2APOLB
SCHEMBL14498663 0.87 SMN1; SMN2 (0.51) KMT2ANPC1RAB9AGAAMAPT
SCHEMBL13297735 0.85 POLB (0.41) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL5829149 0.83 NPC1 (0.53) MEN1KMT2ARXFP1POLBNPC1
SCHEMBL8172135 0.83 ALDH1A1 (0.43) POLBNPC1RAB9AGAAMAPT
SCHEMBL5829094 0.83 KCNK3 (0.48) KCNK3MEN1KMT2ARXFP1POLB
SCHEMBL5828107 0.82 NPC1 (0.57) KCNK3KCNK9MEN1KMT2APOLB
SCHEMBL1537861 0.82 IDO1 (0.54) POLBNPC1RAB9ACYP1A2GAA
SCHEMBL29870318 0.82 IDO1 (0.54) POLBNPC1RAB9ACYP1A2GAA

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-1420292-B1 Stabilizers for use in substantially light-insensitive thermographic recording materials. AGFA GEVAERT (BE) 2006-06-28 EP disclosed
US-6908731-B2 Stabilizers for use in substantially light-insensitive thermographic recording materials AGFA-GEVAERT (BE) 2005-06-21 US disclosed