SCHEMBL5829149

SCHEMBL5829149

O=C(Nc1cccc(-n2nnnc2S)c1)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.53
RAB9A P51151 10/20 0.53
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.47
DEGS1 O15121 1/20 0.47
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
MCL1 Q07820 1/20 0.46
CASP3 P42574 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
PLAU P00749 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL5669641 0.87 POLB (0.54) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL5829094 0.84 KCNK3 (0.48) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL5829495 0.84 RAB9A (0.49) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL5828107 0.83 NPC1 (0.57) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL5829255 0.83 KCNK3 (0.58) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL5829567 0.81 MEN1 (0.50) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL14498648 0.80 TSHR (0.46) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL13297735 0.80 POLB (0.41) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL10530651 0.80 MEN1 (0.51) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL7100985 0.80 P2RX1 (0.51) NPC1RAB9AKMT2AMEN1KDM4E

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