SCHEMBL6983479

SCHEMBL6983479

Cc1ccccc1NC(=O)Nc1ccc(SC[C]=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 1/20 0.54
DDX3X O00571 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
PKM P14618 2/20 0.50
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ITGB1 P05556 4/20 0.46
ITGB3 P05106 1/20 0.46
ITGAV P06756 1/20 0.46
ITGA5 P08648 1/20 0.46
IMPDH2 P12268 1/20 0.45
ITGA4 P13612 3/20 0.45
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL17079620 0.80 RAB9A (0.68) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL3774027 0.80 RAB9A (0.58) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL5852186 0.77 DDX3X (0.70) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL812756 0.76 DDX3X (0.80) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL6983832 0.76 RAB9A (0.58) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL6975823 0.76 GHSR (0.55) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL17079599 0.76 RAB9A (0.68) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL14561170 0.75 RAB9A (0.67) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL7104543 0.75 RAB9A (0.62) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL1275926 0.74 RAB9A (0.75) RAB9ANPC1MAPTKMT2AMEN1

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
EP-1030835-B1 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LTD (GB) 2003-01-22 EP disclosed
US-6344570-B1 ANTISTICKING AGENTS FOR CELLS ASTRAZENECA UK LIMITED (GB) 2002-02-05 US disclosed
EP-1030835-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca UK Limited (GB) 2000-08-30 EP disclosed
WO-1999024398-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-05-20 WO disclosed