SCHEMBL7592297

SCHEMBL7592297

O=[N+]([O-])c1ccccc1CNC(=S)S

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
PTPN1 P18031 1/20 0.52
ALDH1A1 P00352 6/20 0.50
TSHR P16473 1/20 0.50
CA12 O43570 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH3A1 P30838 1/20 0.47
HPGD P15428 1/20 0.46
KDM1A O60341 1/20 0.46

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
SCHEMBL9700935 0.85 KMT2A (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5237525 0.84 NPC1 (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL20496921 0.81 MEN1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7592301 0.81 NPC1 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1252918 0.80 KMT2A (0.64) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL20511418 0.79 MEN1 (0.62) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10341802 0.79 NPC1 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3419481 0.78 ALDH1A1 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL20495063 0.76 MEN1 (0.59) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9366252 0.76 ALDH1A1 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020168642-A1 Sequencing duplex DNA by mass spectroscopy BIOTRACES, INC. 2002-11-14 US claimed
WO-2000017397-A1 SEQUENCING DUPLEX DNA BY MASS SPECTROSCOPY BIOTRACES, INC. (US) 2000-03-30 WO claimed
US-20020168642-A1 Sequencing duplex DNA by mass spectroscopy BIOTRACES, INC. 2002-11-14 US disclosed
WO-2000017397-A1 SEQUENCING DUPLEX DNA BY MASS SPECTROSCOPY BIOTRACES, INC. (US) 2000-03-30 WO disclosed