SCHEMBL5608032

SCHEMBL5608032

Cc1nc(N(CC(C)C)C(=O)O)sc1C(=O)NCc1ccco1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 3/20 0.48
ALOX15 P16050 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CHRM4 P08173 1/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
LMNA P02545 2/20 0.48
USP2 O75604 2/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 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
SCHEMBL6604080 0.79 TDP1 (0.57) MAPTALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL6834849 0.75 GAA (0.47) MAPTALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL6604083 0.72 MAPT (0.53) MAPTALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL6834770 0.71 CHRNA7 (0.49) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL772266 0.69 LCK (0.60) MAPTALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL4194371 0.67 SCD (0.59) HPGDCHRM4NPC1
SCHEMBL14954845 0.67 CHRM4 (0.81) MAPTALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL14148663 0.66 LMNA (0.58) MAPTALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL432169 0.65 CHRM4 (1.00) MAPTALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL12124189 0.65 ALDH1A1 (0.58) MAPTALDH1A1SMN1; SMN2HPGDHSD17B10

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-1758564-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER Brystol-Myers Squibb Company (US) 2007-03-07 EP claimed
WO-2005094376-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 WO claimed