SCHEMBL7095510

SCHEMBL7095510

Cc1csc(NC(=O)Nc2ccnc3cccnc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HTR2B P41595 5/20 0.54
HCRTR1 O43613 3/20 0.54
MAPT P10636 3/20 0.54
TP53 P04637 3/20 0.54
HCRTR2 O43614 2/20 0.54
ADORA2A P29274 2/20 0.54
MAPK1 P28482 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
TRPV1 Q8NER1 1/20 0.42
RAF1 P04049 1/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
Hydrochloric Acid SCHEMBL5964529 0.99 HTR2C (0.55) HTR2CMEN1KMT2AHTR2BHCRTR1
Hydrochloric Acid SCHEMBL7659942 0.83 HTR2C (0.54) HTR2CMEN1KMT2AHTR2BALDH1A1
SCHEMBL31482390 0.75 MAPT (0.52) HTR2CMEN1KMT2AHTR2BHCRTR1
SCHEMBL16456336 0.73 NPC1 (0.55) HTR2CMEN1KMT2AHTR2BHCRTR1
SCHEMBL7101667 0.72 HTR2C (0.72) HTR2CMEN1KMT2AHTR2BHCRTR1
SCHEMBL16456335 0.72 KDR (0.57) HTR2CMEN1KMT2AHTR2BHCRTR1
SCHEMBL7095507 0.72 HTR2C (0.72) HTR2CMEN1KMT2AHTR2BHCRTR1
SCHEMBL2876837 0.71 HCRTR1 (0.51) HTR2CMEN1KMT2AHTR2BHCRTR1
SCHEMBL3804058 0.71 GSK3B (0.70) HTR2CMEN1KMT2AHTR2BHCRTR1
Hydrochloric Acid SCHEMBL5964523 0.71 HTR2C (0.70) HTR2CMEN1KMT2AHTR2BHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1075478-B1 PHENYLUREA AND PHENYLTHIO UREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP claimed