SCHEMBL214543

SCHEMBL214543

C=Cc1ccc2cccc(Br)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
TYMS P04818 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SLC9A1 P19634 1/20 0.34
TSHR P16473 2/20 0.33
BACE1 P56817 2/20 0.32
HSP90AA1 P07900 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
KLK1 P06870 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
HSD17B10 Q99714 2/20 0.31
HIF1A Q16665 1/20 0.31
CYP1B1 Q16678 1/20 0.31
POLB P06746 2/20 0.31

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
SCHEMBL214650 0.85 SLC9A1 (0.41) TDP1TP53ALDH1A1MEN1KMT2A
SCHEMBL23765145 0.80
SCHEMBL29760312 0.78 TYMS (0.42) TDP1TP53TYMSALDH1A1MEN1
SCHEMBL2443320 0.78 TYMS (0.42) TDP1TP53TYMSALDH1A1MEN1
SCHEMBL1778036 0.78 ALDH1A1 (0.56) TDP1TP53TYMSALDH1A1MEN1
SCHEMBL38666753 0.78 ALDH1A1 (0.56) TDP1TP53TYMSALDH1A1MEN1
SCHEMBL216923 0.77 TDP1 (0.39) TDP1TP53TYMSALDH1A1MEN1
SCHEMBL215676 0.77 CYP2A6 (0.48) TDP1TP53TYMSALDH1A1MEN1
SCHEMBL21244259 0.77 CYP1A2 (0.57) TDP1TP53TYMSALDH1A1MEN1
SCHEMBL11963906 0.77 CTDSP1 (0.53) TDP1TP53TYMSALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110225911-A Oxadiazolone transient receptor potential channel inhibitors 豪夫迈·罗氏有限公司 2019-09-10 CN disclosed
EP-1780600-B1 LOWER LAYER FILM FORMING COMPOSITION FOR LITHOGRAPHY INCLUDING NAPHTHALENE RING HAVING HALOGEN ATOM NISSAN CHEMICAL IND LTD (JP) 2014-02-26 EP disclosed
US-8088546-B2 Underlayer coating forming composition for lithography containing naphthalene ring having halogen atom NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-03 US disclosed
EP-2331552-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-15 EP disclosed
CN-1977220-B Lower layer film forming composition for lithography including naphthalene ring having halogen atom NISSAN CHEMICAL IND LTD 2010-12-01 CN disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
US-20070238029-A1 Underlayer Coating Forming Composition for Lithography Containing Naphthalene Ring Having Halogen Atom NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-10-11 US disclosed
EP-1780600-A1 LOWER LAYER FILM FORMING COMPOSITION FOR LITHOGRAPHY INCLUDING NAPHTHALENE RING HAVING HALOGEN ATOM Nissan Chemical Industries, Ltd. (JP) 2007-05-02 EP disclosed