SCHEMBL5829495

SCHEMBL5829495

Cc1ccc(C(=O)Nc2cccc(-n3nnnc3S)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
POLB P06746 3/20 0.48
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NAMPT P43490 2/20 0.45
TP53 P04637 2/20 0.45
CES1 P23141 1/20 0.45
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL5829255 0.90 KCNK3 (0.58) RAB9ANPC1POLBMAPTL3MBTL1
SCHEMBL5669641 0.89 POLB (0.54) RAB9ANPC1POLBTP53KDM4E
SCHEMBL5829094 0.88 KCNK3 (0.48) RAB9ANPC1POLBMAPTL3MBTL1
SCHEMBL5828107 0.88 NPC1 (0.57) RAB9ANPC1POLBALDH1A1MAPT
SCHEMBL5829567 0.84 MEN1 (0.50) RAB9ANPC1POLBALDH1A1MAPT
SCHEMBL5829149 0.84 NPC1 (0.53) RAB9ANPC1POLBMAPTLMNA
SCHEMBL8172135 0.84 ALDH1A1 (0.43) RAB9ANPC1POLBALDH1A1MAPT
SCHEMBL14498663 0.83 SMN1; SMN2 (0.51) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL1537861 0.83 IDO1 (0.54) RAB9ANPC1POLBALDH1A1MAPT
SCHEMBL29870318 0.83 IDO1 (0.54) RAB9ANPC1POLBALDH1A1MAPT

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