SCHEMBL9809381

SCHEMBL9809381

NCCNc1ccccc1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
HSD17B10 Q99714 4/20 0.69
HPGD P15428 2/20 0.69
KDM4C Q9H3R0 3/20 0.61
KDM4E B2RXH2 3/20 0.57
AGTR1 P30556 1/20 0.57
RAB9A P51151 1/20 0.57
POLB P06746 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
FABP4 P15090 2/20 0.49
CA12 O43570 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49

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
SCHEMBL8689214 0.88 ALDH1A1 (0.79) ALDH1A1HSD17B10HPGDKDM4CKDM4E
SCHEMBL10697917 0.88 ALDH1A1 (0.63) ALDH1A1HSD17B10HPGDKDM4CKDM4E
Hydrochloric Acid SCHEMBL516167 0.88 ALDH1A1 (0.63) ALDH1A1HSD17B10HPGDKDM4CKDM4E
SCHEMBL9809308 0.86 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDKDM4CKDM4E
SCHEMBL27833806 0.85 ALDH1A1 (0.69) ALDH1A1HSD17B10HPGDKDM4CKDM4E
SCHEMBL17315235 0.85 AGTR1 (0.53) ALDH1A1HSD17B10HPGDKDM4CKDM4E
SCHEMBL5965440 0.85 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDKDM4EAGTR1
SCHEMBL9279236 0.83 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDKDM4CKDM4E
SCHEMBL28450712 0.83 HSD17B10 (0.53) ALDH1A1HSD17B10HPGDKDM4CKDM4E
SCHEMBL10699791 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDKDM4CKDM4E

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
US-7547335-B2 Metal polishing composition and method of polishing using the same FUJIFILM CORPORATION (JP) 2009-06-16 US disclosed
US-20070287362-A1 POLISHING COMPOSITION AND METHOD OF POLISHING WITH THE SAME FUJIFILM CORPORATION 2007-12-13 US disclosed
EP-0283563-B1 NOVEL DERIVATIVES BEECHAM GROUP PLC (GB) 1991-05-29 EP disclosed
EP-0155388-B1 ENZYME-PROTEIN CONJUGATE, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL USE THEREOF BEECHAM GROUP PLC (GB) 1989-03-29 EP disclosed
EP-0284413-A2 Derivative of a fibrinolytic enzyme BEECHAM GROUP PLC (GB) 1988-09-28 EP disclosed
EP-0283563-A2 Novel derivatives BEECHAM GROUP PLC (GB) 1988-09-28 EP disclosed
US-4741903-A Novel enzyne derivatives BEECHAM GROUP P.L.C. (GB) 1988-05-03 US disclosed
EP-0155388-A2 Enzyme-protein conjugate, process for its preparation and pharmaceutical use thereof BEECHAM GROUP PLC (GB) 1985-09-25 EP disclosed