SCHEMBL50978

SCHEMBL50978

N#Cc1ccc(Cc2ccc(C#N)cc2O)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MMP3 P08254 1/20 0.40
HSPA5 P11021 1/20 0.39
CXCR2 P25025 4/20 0.39
CXCR1 P25024 2/20 0.39
ALOX5 P09917 1/20 0.38
SNCA P37840 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
AR P10275 1/20 0.38
CYP19A1 P11511 1/20 0.37
TYR P14679 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN11 Q06124 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
SCHEMBL8157286 0.85 CA2 (0.43) CA12CA2CA3CA6CA9
SCHEMBL24440255 0.83 CYP2A6 (0.47) CA12CA2CA3CA6CA9
SCHEMBL5189317 0.83 LOXL2 (0.47) CA12CA2CA3CA6CA9
SCHEMBL51567 0.83 HIF1A (0.48) CA12CA2CA3CA6CA9
Hydrochloric Acid SCHEMBL5047518 0.82 LOXL2 (0.45) CA12CA2CA3CA6CA9
SCHEMBL25908752 0.80 AKR1B1 (0.47) CXCR2CXCR1MAPT
SCHEMBL5178408 0.80 KDM4E (0.41) HSPA5CXCR2CXCR1ARMAPT
SCHEMBL4002102 0.79 MAOA (0.48) CYP19A1MAPT
SCHEMBL5186840 0.78 P4HB (0.44)
SCHEMBL217250 0.77 CA12 (0.52) CA12CA2CA3CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181853-B1 Thermosensitive recording medium JUJO PAPER CO LTD (JP) 2015-09-23 EP disclosed
US-8492308-B2 Thermosensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2013-07-23 US disclosed
US-8129307-B2 Thermosensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2012-03-06 US disclosed
US-20110269622-A1 THERMOSENSITIVE RECORDING MEDIUM NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2011-11-03 US disclosed
US-20110130281-A1 THERMOSENSITIVE RECORDING MEDIUM API CORPORATION 2011-06-02 US disclosed
EP-2112001-B1 THERMOSENSITIVE RECORDING MEDIUM JUJO PAPER CO LTD (JP) 2011-05-11 EP disclosed
EP-2261045-A1 HEAT-SENSITIVE RECORDING MEDIUM Nippon Paper Industries Co., Ltd. (JP) 2010-12-15 EP disclosed
EP-2181853-A1 THERMAL RECORDING MATERIAL Nippon Paper Industries Co., Ltd. (JP) 2010-05-05 EP disclosed
US-20100099557-A1 Thermosensitive Recording Medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2010-04-22 US disclosed
US-7141359-B2 Developers for thermal recording materials and thermal recording materials API CORPORATION (JP) 2006-11-28 US disclosed
US-20050118526-A1 Developers for thermal recording materials and thermal recording materials MITSUBISHI CHEMICAL CORPORATION (JP) 2005-06-02 US disclosed
EP-1393923-A1 DEVELOPERS FOR THERMAL RECORDING MATERIALS AND THERMAL RECORDING MATERIALS API Corporation (JP) 2004-03-03 EP disclosed