SCHEMBL5828107

SCHEMBL5828107

COc1ccc(C(=O)Nc2cccc(-n3nnnc3S)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.57
RAB9A P51151 8/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
TP53 P04637 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 2/20 0.57
PKM P14618 1/20 0.57
KCNK9 Q9NPC2 1/20 0.56
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
ADORA3 P0DMS8 1/20 0.53
KCNK3 O14649 1/20 0.52
EPHX2 P34913 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.50
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49

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 0.88 RAB9A (0.49) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL5669641 0.86 POLB (0.54) NPC1RAB9ATP53KMT2AKCNK9
SCHEMBL5829094 0.85 KCNK3 (0.48) NPC1RAB9ASMN1; SMN2KMT2AKCNK3
SCHEMBL14498667 0.84 TP53 (0.54) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL5829149 0.83 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL10988061 0.83 ALDH1A1 (0.45) RAB9ASMN1; SMN2KMT2AALDH1A1PKM
SCHEMBL5829255 0.82 KCNK3 (0.58) NPC1RAB9ATP53KMT2AKCNK9
SCHEMBL5829567 0.82 MEN1 (0.50) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL10986870 0.82 ALDH1A1 (0.44) RAB9ASMN1; SMN2KMT2AALDH1A1PKM
SCHEMBL1537861 0.80 IDO1 (0.54) NPC1RAB9AALDH1A1MAPTCYP1A2

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