SCHEMBL6169499

SCHEMBL6169499

COc1ccc(-c2cc3c(OC)cc(OC)cc3n(C)c2=S)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
TNFRSF1A P19438 4/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 2/20 0.39
CYP3A4 P08684 2/20 0.39
NPC1 O15118 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAOA P21397 1/20 0.37
KLK7 P49862 1/20 0.36
BACE1 P56817 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6170922 0.83 ALDH1A1 (0.47) ABL1ABCB1BCRALDH1A1KDM4E
SCHEMBL6181826 0.75 RET (0.48) ABL1ABCB1BCRALDH1A1KDM4E
SCHEMBL20257399 0.74 ABL1 (0.45) ABL1ABCB1BCRALDH1A1KDM4E
SCHEMBL6171720 0.74 ABL1 (0.37) ABL1ABCB1BCRTNFRSF1AALDH1A1
SCHEMBL6171548 0.70 KMT2A (0.47) ABL1ABCB1BCRALDH1A1KDM4E
SCHEMBL6170872 0.70 TDP1 (0.46) ALDH1A1KDM4ERAB9ACYP3A4NPC1
SCHEMBL6168228 0.70 KDM4E (0.46) ALDH1A1KDM4ERAB9ACYP3A4NPC1
SCHEMBL6170913 0.70 KMO (0.48) ALDH1A1KDM4ERAB9ACYP3A4NPC1
SCHEMBL6170477 0.69 HASPIN (0.42) ALDH1A1KDM4ERAB9ACYP3A4NPC1
SCHEMBL7197087 0.69 GRM2 (0.40) TNFRSF1AALDH1A1KDM4ERAB9ACYP3A4

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-1097138-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-QUINOLONES LAFON LABOR (FR) 2005-12-07 EP disclosed
US-6593342-B1 Activity on the proliferation of clonogenic cells in tumours and comprising an efficient amount of a compound selected among the compounds LABORATOIRE L. LAFON (FR) 2003-07-15 US disclosed
EP-1097138-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-QUINOLONES LABORATOIRE L. LAFON (FR) 2001-05-09 EP disclosed
WO-2000003990-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-QUINOLONES LABORATOIRE L. LAFON (FR) 2000-01-27 WO disclosed