SCHEMBL3659543

SCHEMBL3659543

Nc1cccc(C(=O)O)c1N.[Zr]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.63
CASP7 P55210 1/20 0.63
CASP6 P55212 1/20 0.63
MMP2 P08253 1/20 0.63
ALDH1A1 P00352 4/20 0.50
ALOX15 P16050 1/20 0.50
CDC25B P30305 1/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 1/20 0.47
NAPRT Q6XQN6 2/20 0.45
IDO1 P14902 1/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 3/20 0.45
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
KMT2A Q03164 3/20 0.43

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
SCHEMBL73593 0.98 G6PD (0.65) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL30797265 0.98 G6PD (0.65) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL27503726 0.95 G6PD (0.63) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL27529027 0.95 G6PD (0.63) G6PDCASP7CASP6MMP2ALDH1A1
Hydrochloric Acid SCHEMBL4923242 0.95 G6PD (0.63) G6PDCASP7CASP6MMP2ALDH1A1
Hydrochloric Acid SCHEMBL5223248 0.95 G6PD (0.63) G6PDCASP7CASP6MMP2ALDH1A1
Ammonia Solution, Strong SCHEMBL1224707 0.95 G6PD (0.63) G6PDCASP7CASP6MMP2ALDH1A1
Carbamic Acid SCHEMBL5529842 0.93 G6PD (0.61) G6PDCASP7CASP6MMP2ALDH1A1
Acetic Acid SCHEMBL27738534 0.91 G6PD (0.59) G6PDCASP7CASP6MMP2ALDH1A1
Trimethylammonium SCHEMBL28740744 0.90 G6PD (0.57) G6PDCASP7CASP6MMP2ALDH1A1

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
EP-2220176-B1 SOL-GEL COATING COMPOSITIONS AND THEIR PROCESS OF PREPARATION DUBLIN INSTITUTE OF TECH INTELLECTUAL PROPERTY LTD (IE) 2018-09-19 EP disclosed
US-20100330380-A1 Organosilane Coating Compositions and Use Thereof DUBLIN CITY UNIVERSITY (IE) 2010-12-30 US disclosed
CN-101925660-A Organosilane coating composition and use thereof DUBLIN INST OF TECHNOLOGY 2010-12-22 CN disclosed
EP-2220176-A2 SOL-GEL COATING COMPOSITIONS AND THEIR PROCESS OF PREPARATION Dublin Institute of Technology Intellectual Property Ltd (IE) 2010-08-25 EP disclosed
WO-2009069111-A2 SOL-GEL COATING COMPOSITIONS AND THEIR PROCESS OF PREPARATION DUBLIN INSTITUTE OF TECHNOLOGY (IE) 2009-06-04 WO disclosed