SCHEMBL7218005

SCHEMBL7218005

COC(=O)c1sc2cccc(OC)c2c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
ALDH1A1 P00352 7/20 0.60
MAPT P10636 5/20 0.60
HPGD P15428 4/20 0.60
GLA P06280 3/20 0.60
GAA P10253 3/20 0.60
HSD17B10 Q99714 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALOX15 P16050 1/20 0.60
ATM Q13315 1/20 0.60
MAPK1 P28482 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
TSHR P16473 1/20 0.51
BACE1 P56817 1/20 0.50
CASP1 P29466 1/20 0.48
HTT P42858 1/20 0.48
CASP7 P55210 1/20 0.48
NCOA1 Q15788 1/20 0.48
RCE1 Q9Y256 1/20 0.48

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
SCHEMBL9433877 0.87 IKBKB (0.58) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL11101251 0.84 BACE1 (0.54) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL4343748 0.82 ALDH1A1 (0.73) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL2748825 0.82 ALDH1A1 (0.73) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL8143138 0.80 KDM4E (0.57) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL9433956 0.80 BACE1 (0.48) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL8242765 0.80 ALDH1A1 (0.57) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL24853492 0.79 ALDH1A1 (0.56) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL8886947 0.78 KDM4E (0.55) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL20561789 0.77 KDM4E (0.60) KDM4EALDH1A1MAPTHPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596726-B1 Method of inhibiting epidermal growth factor by treating, with an effective inhibiting amount, a mammal, in need thereof inhibit the epidermal growth factor receptor and related receptors and, in particular, their tyrosine kinase enzyme WARNER LAMBERT COMPANY 2003-07-22 US disclosed
US-5679683-A USEFUL FOR TREATING CANCER, ARTHRITIS, PSORIASIS, VASCULAR RESTENOSIS AND ANGIOGENESIS WARNER-LAMBERT COMPANY (US) 1997-10-21 US disclosed
EP-0741711-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-13 EP disclosed
WO-1995019970-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 WO disclosed
US-5350748-A 3-thio or amino substituted-benzo[b]thiophene-2-carboxamides and 3-oxygen, thio, or amino substituted-benzofuran-2-carboxamides as inhibitors of cell adhesion WARNER-LAMBERT COMPANY (US) 1994-09-27 US disclosed