SCHEMBL4644151

SCHEMBL4644151

CSc1ccc(CNC(=O)c2ccnc(NCCc3ccccc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
NPC1 O15118 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
STAT6 P42226 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
HTR7 P34969 2/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A2 P23975 1/20 0.43
HRH2 P25021 1/20 0.43
HTR1D P28221 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
HTR5A P47898 1/20 0.43
HTR6 P50406 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
SCHEMBL6081184 0.80 MAPK14 (0.45) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4683728 0.73 HTR7 (0.43) RAB9ANPC1HTR7ADRA2BADRA2C
SCHEMBL30509718 0.70 HTR7 (0.59) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL13402939 0.70 HTR7 (0.59) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL8358440 0.69 MMP13 (0.66) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL27862873 0.68 CA1 (0.51) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL7700166 0.68 RAB9A (0.70) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL8209567 0.67 KDM4E (0.47) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL21753196 0.67 HPGD (0.79) KMT2AALDH1A1HPGDMMP13SMN1; SMN2
SCHEMBL3946632 0.66 HPGD (0.68) KMT2AMAPTALDH1A1HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675830-A4 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC (US) 2008-08-20 EP disclosed
EP-1675830-A2 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC. (US) 2006-07-05 EP disclosed
WO-2005033072-A2 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC. (US) 2005-04-14 WO disclosed