SCHEMBL5829189

SCHEMBL5829189

O=C(Nc1ccc(-n2nnnc2S)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 6/20 0.50
PTPN1 P18031 2/20 0.50
TP53 P04637 2/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
GRM4 Q14833 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
JAK2 O60674 1/20 0.48
TYK2 P29597 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
SCHEMBL10680373 0.86 MEN1 (0.48) RAB9AMAPTSMN1; SMN2LMNANPC1
SCHEMBL14498671 0.86 TSHR (0.49) RAB9AMAPTSMN1; SMN2NPC1TP53
SCHEMBL5669641 0.86 POLB (0.54) RAB9ANPC1TP53SIRT1MEN1
SCHEMBL13297868 0.81 ALDH1A1 (0.52) RAB9AMAPTSMN1; SMN2LMNAHTT
SCHEMBL1250300 0.80 KMT2A (0.53) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL5688069 0.80 PEPD (0.43) MAPTSMN1; SMN2LMNANPC1MEN1
SCHEMBL10533529 0.79 F10 (0.44) RAB9ALMNANPC1KMT2AKDM4E
SCHEMBL7096194 0.78 ABCG2 (0.53) RAB9AMAPTSMN1; SMN2NPC1TP53
SCHEMBL2892873 0.78 ALDH1A1 (0.45) LMNAHTTMEN1KMT2AKDM4E
SCHEMBL8967579 0.77 MEN1 (0.45) SMN1; SMN2LMNANPC1TP53MEN1

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